Plant Summary
Plant Information
TCMBank_ID: | TCMBANKHE006664 |
YNS_ID: | YNS-181 |
XU_ID: | XU-236 |
ID: | TCMBANKHE006664/YNS-181/XU-60/XU-236 |
植物拉丁名: |
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功能与主治: | 祛风清热，解毒消肿，力气通便。用于咽喉肿痛，牙龈肿痛，咳嗽痰稠，腹胀便秘，消渴；黄白带下，干血痨，产后少乳，风毒面肿，大头风，疮疡肿痛|To dispel wind-heat and relieve cough, to promote eruption, to counteract toxicity, and to soothe sore throat;Treament of cough and expectroation in influenza or upper respiratory infection, measles, rubella, sore throat, mumps, erysipelas, carbuncles and sores./Wind-heat common cold, cough with profuse phlegm, measles papules, wind papules, swelling pain in throat, epidemic parotitis;1. Its extract exerts a significant and prolonged effect of lowering blood sugar in rats.2. Mildly diuretic and laxative.3. An active component, arctiin, can induce tonic convulsion, feeble respiration and eventually paralysis in frogs, mice and rabbits. erysipelas, swollen welling abscess and sore toxin. |
药用植物名: | 牛蒡子;大力子|牛蒡 |
药名: | 牛蒡根 |
来源: | 云南药材标准：第二册|西藏昌都市洛隆县 |
药用部位: | fruit;Arctium lappa L.|干燥根|全株 |
药味: | Cold; Pungent; Bitter |
经络: | Lung; Stomach |
科: | 菊科 |
属: | 牛蒡属 |
临床特征: | 1. Its extract exerts a significant and prolonged effect of lowering blood sugar in rats.2. Mildly diuretic and laxative.3. An active component, arctiin, can induce tonic convulsion, feeble respiration and eventually paralysis in frogs, mice and rabbits. |
治疗类型: | 辛凉解表药 |
KUMST_ID1: | KMUST-BS-0246 |
KUMST_ID2: | KMUST-202310150018-1，-2，-3 |
TCM_ID_id: | 3673;1266 |
SymMap_id: | 301 |
TCMSP_id: | 530;143 |
植物对应的化合物
| 化合物ID | 化合物名 | 别名 | 分子式 | 分子质量 | Smiles |
|---|
| TCMBANKIN000081 | dehydrocostus lactone | dehydrocostuslactone; Azuleno[4,5-b]furan-2(3H)-one,decahydro-3,6,9-tris(methylene)-, (3aS,6aR,9aR,9bS)-; SCHEMBL699070; (3aS,6aR,9aR,9bS)-decahydro-3,6,9-tris(methylene)azuleno[4,5-b]furan-2(3H)-one; (3aR,6aS,9aS,9bR)-3,6,9-tris(methylidene)octahydroazuleno[4,5-b]furan-2,8(3H,4H)-dione; (3aS,6aR,9aR,9bS)-3,6,9-trimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-2-one; Dehydro-costus lactone (6CI,7CI); CHEMBL88985; Dehydrocostus-Lactone; 71TRF5K040; AN-45158; (3aR,6aS,9aS,9bR)-3,6,9-tris(methylene)octahydroazuleno[4,5-b]furan-2,8(3H,4H)-dione; Guaia-4(15),10(14),11(13)-trien-12-oic acid, 6alpha-hydroxy-, gamma-lactone; I07-0243; CTK5D9685; Dehydrocostus lactone; UNII-71TRF5K040; C09387; AKOS015896789; (3aS,6aR,9aR,9bS)-Decahydro-3,6,9-tris(methylene)-azuleno[4,5-b]furan-2(3H)-one; [3aS-(3aalpha,6aalpha,9aalpha,9bbeta)]-Decahydro-3,6,9-tris(methylene)-azuleno[4,5-b]furan-2(3H)-one; (3aS,6aR,9aR,9bS)-3,6,9-trimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one; (3aS,6aR,9aR,9bS)-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-2-one; CS-3636; MCULE-3657815830; SC-19761; ZB015154; (-)-Dehydrocostus lactone; Dehydrocostus lactone; Epiligulyl oxide; Dehydrocostus lactone, >=98% (HPLC); 477-43-0; (3as,6ar,9ar,9bs)-3,6,9-trimethylidenedecahydroazuleno[4,5-b]furan-2(3h)-one; ZINC898477; HY-N0591; 299D482; (3aS,6aR,9aR,9bS)-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one; CCG-208469; Azuleno(4,5-b)furan-2(3H)-one, decahydro-3,6,9-tris(methylene)-, (3aS-(3aalpha,6aalpha,9aalpha,9bbeta))-; AIDS-070708; AC1L2JE2; Azuleno(4,5-b)furan-2(3H)-one, decahydro-3,6,9-tris(methylene)-, (3aS-(3a.alpha.,6a.alpha.,9a.alpha.,9b.beta.))-; (3aS,6aR,9aR,9bS)-3,6,9-Trimethylenedecahydroazuleno[4,5-b]furan-2(9bH)-one; Dehydrocostus lactone, analytical standard; D5366; AC1Q69K0; (-)-dehydrocostuslactone; (-)-dehydrocostus lactone; FT-0082396; Azuleno[4,5-b]furan-2(3H)-one,decahydro-3,6,9-tris(methylene)-; CHEBI:244418; EBD10311; NP-009694; BDBM50370831; AIDS070708; 74299-48-2; MolPort-006-822-624 | C15H18O2 | 230.3 | C=C1CCC2C(C3C1CCC3=C)OC(=O)C2=C |
| TCMBANKIN000100 | lauric acid | NCGC00090919-01; CHEBI:30805; n-Dodecanoic acid; Hydrofol acid 1255; Wecoline 1295; Neo-Fat 12-43; 8045-27-0; WLN: QV11; AI3-00112; AIDS-049202; 61609_FLUKA; Dodecylcarboxylate; DAO; EINECS 205-582-1; L-ALFA-LYSOPHOSPHATIDYLCHOLINE, LAUROYL; CCRIS 669; W261408_ALDRICH; lauric acid ; 8000-62-2; DODECANOIC ACID (LAURIC ACID); C-1297; 7632-48-6; ST023796; NSC5026; Laurinsaeure; C02679; [2-((1-OXODODECANOXY-(2-HYDROXY-3-PROPANYL))-PHOSPHONATE-OXY)-ETHYL]-TRIMETHYLAMMONIUM; Dodecoic acid; Laurostearic acid; NCGC00090919-02; 4-02-00-01082 (Beilstein Handbook Reference); lauricacid; Ninol AA62 extra; InChI=1/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14; Lauric acid (natural); Aliphat No. 4; NSC-5026; Coconut oil fatty acids; Lauric acid, pure; 203714-07-2; NCIOpen2_009480; CH3-[CH2]10-COOH; Dodecylic acid; Neo-Fat 12; AIDS049202; C12 fatty acid; HSDB 6814; Dodecanoic acid; L556_ALDRICH; Lauric acid; LAP; Univol U-314; FEMA No. 2614; 1-Undecanecarboxylic acid; Vulvic acid; 143-07-7; BRN 1099477; Duodecylic acid; LAU; W261416_ALDRICH; LMFA01010012; L4250_SIGMA; Hydrofol acid 1295 | C12H24O2 | 200.32 | CCCCCCCCCCCC(=O)O |
| TCMBANKIN001885 | (3R,4R)-3,4-bis[(3,4-dimethoxyphenyl)methyl]oxolan-2-one | (3R,4R)-3,4-bis[(3,4-dimethoxyphenyl)methyl]tetrahydrofuran-2-one; (3R,4R)-3,4-bis(3,4-dimethoxybenzyl)tetrahydrofuran-2-one; (3R,4R)-3,4-bis[(3,4-dimethoxyphenyl)methyl]-2-tetrahydrofuranone | C13H22O | 194.31 | COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)OC)OC)OC |
| TCMBANKIN001917 | Hexadienal | (2E,4E)-hexa-2,4-dienal; FEMA No. 3429; AIDS-017580; trans,trans-2,4-Hexadienal; 73506-81-7; Hexa-2,4-dienal; BRN 1698401; AIDS017580; NSC 16184; 4488-48-6; 1,3-Pentadiene-1-carboxaldehyde; 2,4-Hexadienal, (E,E)-; 2,4-Hexadienal, (2E,4E)-; NSC 68096; 52477_FLUKA; EINECS 205-564-3; CCRIS 5124; 2,4-Hexadienal, trans,trans-; SBB006613; HSDB 7239; AI3-31142; W342904_ALDRICH; 2,4-Hexadienal (89% trans,trans;11% cis,trans); NCGC00090786-01; 142-83-6; 2-Propyleneacrolein; ZINC01733897; LMFA06000006; CCRIS 4030; InChI=1/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3/b3-2+,5-4; 3-Propyleneacrolein; 4-01-00-03545 (Beilstein Handbook Reference); 2,4-Hexadienal (89% trans,trans-, 11% cis,trans-); 180343_ALDRICH; Sorbic aldehyde | C6H8O | 96.13 g/mol | CC=CC=CC=O |
| TCMBANKIN002780 | arachide acid | ||||
| TCMBANKIN003355 | (3R,4aR,8aR)-3-isopropenyl-5,8a-dimethyl-2,3,4,4a,7,8-hexahydro-1H-naphthalene | (3R,4aR,8aR)-5,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,7,8-hexahydro-1H-naphthalene | C15H24 | 204.35 | |
| TCMBANKIN004565 | Arctignan E | arctignan e | C40H44O13 | 732.77 | COC1=CC(=CC(=C1O)C(CO)C(C2=CC(=C(C=C2)O)OC)O)CC3C(COC3=O)CC4=CC5=C(C(=C4)OC)OC(C5CO)C6=CC(=C(C=C6)O)OC |
| TCMBANKIN005050 | (2R)-2-methylbutan-1-ol | ZINC01586738; InChI=1/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H; 1-BUTANOL,2-METHYL MFC5 H12 O1 | C5H12O | 88.15 | CCC(C)CO |
| TCMBANKIN005253 | 3-OCTENOIC ACID | 1577-19-1; trans-beta-octenoic acid; oct-3-enoic acid; EINECS 216-418-3; (E)-Oct-3-enoic acid; trans-3-octenoic acid; 3E-octenoic acid; LMFA01030020; EINECS 225-941-6; 5163-67-7 | C8H14O2 | 142.2 | CCCCC=CCC(=O)O |
| TCMBANKIN005741 | Istidina | EINECS 200-745-3; (S)-2-Amino-3-(4-imidazolyl)propionic acid; HISTIDINE, L-; 35558-59-9; S-Histidine; L-Histidin; Polyhistidine; (L)-Histidine; FEMA No. 3694; 54166-13-1; 53319_FLUKA; (2S)-2-amino-3-(3H-imidazol-4-yl)propanoic acid; AI3-26558; NSC 137773; 1H-Imidazole-4-propanoic acid, alpha-amino-, (S)-; H8000_SIAL; (S)-alpha-Amino-1H-imidazole-4-propionic acid; Histidine (USP/INN); 35479-49-3; L-Histidine, homopolymer; 6459-59-2 (MONOHYDROCHLORIDE); D00032; Histidina [INN-Spanish]; Histidine [USAN:INN]; 30641-68-0; (2S)-2-amino-3-(3H-imidazol-4-yl)propionic acid; H3911_SIAL; Lopac-H-8125; L-beta-(4-Imidazolyl)alanin; CHEBI:15971; C00135; Histidinum [INN-Latin]; H6034_SIGMA; Lopac0_000566; 155304-24-8; 26062-48-6; (2S)-2-amino-3-(1H-imidazol-4-yl)propanoic acid; L-Alanine, 3-(1H-imidazol-4-yl)-; InChI=1/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11; 150-35-6; (S)-4-(2-Amino-2-carboxyethyl)imidazole; Poly(L-histidine); L-Histidine (JAN); AIDS020253; (S)-2-Amino-3-(4-imidazolyl)propionsaeure; AIDS-020253; 4-(2-Amino-2-carboxyethyl)imidazole; Histidine (VAN); 45955-20-2; 1H-Imidazole-4-alanine, (S)-; alpha-Amino-4(or 5)-imidazolepropionic acid; HSDB 1810; HIS NH3+ COOH; alpha-Amino-1H-imidazole-4-propionic acid, (S)-; Polyhiustidine; Imidazole C-4(5) deriv. 5; L-beta-(4-Imidazolyl)-alpha-alanin; NCGC00015518-01; Anti-rheuma | C6H9N3O2 | 155.15 g/mol | C1=C(NC=N1)CC(C(=O)O)N |
| TCMBANKIN006943 | histamine | beta-Aminoethylglyoxaline; 3bu1; IDI1_002144; Bio1_000976; AIDS020252; Histamium; 2-(3H-imidazol-4-yl)ethanamine; Bio1_000487; 5-Imidazoleethylamine; 4-Imidazoleethylamine; NCGC00093371-03; Spectrum3_000452; BCBcMAP01_000250; KBio3_000854; L-histamine; 1H-Imidazole-4-ethanamine; Spectrum4_000960; BSPBio_001117; KBio2_003893; C00388; 2-(1H-imidazol-4-yl)ethanamine; KBio2_000457; KBioSS_000457; Histamine, Free Base; CCRIS 6535; SMR000059091; NSC33792; KBio2_003025; CHEBI:58432; 2-(4-Imidazolyl)ethylamine; BSPBio_002124; Istamina [Italian]; Ergamine; 2-(1H-imidazol-5-yl)ethylazanium; ZERO/004089; HSM; 4-(2-Aminoethyl)-1H-imidazole; Eramin; Spectrum_000845; CJ-15872; Histamine Base; histaminium; .beta.-Imidazolyl-4-ethylamine; histaminium cation; Bio1_001465; beta-Imidazolyl-4-ethylamine; NSC 33792; KBioGR_001580; 3rxh; SMP1_000151; WLN: T5M CNJ D2Z; Histamine [USAN]; Imidazole-4-ethylamine; beta-Aminoethylimidazole; Spectrum2_000665; KBioSS_001325; Ergotidine; KBio3_000853; 2-Imidazol-4-ylethylamine; SDCCGMLS-0066601.P001; 5-(2-Aminioethyl)-1H-imidazole; 2-(3H-imidazol-4-yl)ethylamine; peremin; A828600; 51-45-6; AIDS-020252; HSDB 3338; NCGC00015513-01; HISTAMINE; EINECS 200-100-6; KBio2_005593; Lopac0_000595; nchembio714-comp1; KBio1_000308; MLS000069447; CHEBI:18295; Lopac-H-7250; Ethylamine, 2-imidazol-4-yl-; KBio3_001344; Free histamine; IDI1_000308; H7125_SIGMA; 2-(1H-imidazol-4-yl)ethanaminium; KBioGR_000457; KBio2_006461; ST073926; 53290_FLUKA; FT-0669215; 2-(1H-imidazol-5-yl)ethylammonium; beta-aminothethylglyoxaline; Bio2_000389; Spectrum5_000796; SPBio_000729; Theramine; DivK1c_000308; KBio2_001325; NINDS_000308; NCGC00093371-04; Bio2_000869; Imidazole, 4-(2-aminoethyl)-; 2-(1H-imidazol-5-yl)ethanamine | C5H9N3 | 111.15 | C1=C(NC=N1)CCN |
| TCMBANKIN006987 | Gulutamine | 25513-46-6; G1251_SIGMA; Glutamic acid, L-, peptides; Acidum glutamicum; BPBio1_001132; L-Glutamic acid (9CI); AIDS071819; nchembio.2007.55-comp22; (S)-2-aminopentanedioic acid; L-Glutaminic acid; 26717-13-5; E 620; Biomol-NT_000170; Lopac0_000529; D00007; L-Glutamic acid, homopolymer (9CI); Poly(alpha-L-glutamic acid); NCGC00024502-01; (2S)-2-aminoglutaric acid; NCGC00024502-03; 24938-00-9; PDSP1_001539; L-Glutamic acid (JAN); W328502_ALDRICH; alpha-L-Glutamic acid polymer; HSCI1_000269; 09581_FLUKA; AIDS-071819; G5667_SIGMA; L-Glutaminsaeure; 49449_FLUKA; nchembio816-comp2; PDSP2_000127; Glutamic acid polymer; PDSP2_001523; alpha-Glutamic acid; G8415_SIGMA; C00025; 84960-48-5; Tocris-0218; CHEBI:16015; L-alpha-Aminoglutaric acid; PDSP1_000128; Glutamic acid, L- (7CI,8CI); (2S)-2-aminopentanedioic acid; POLYGLUTAMIC ACID; LS-2330; Gulutamine (USP) | C5H9NO4 | 147.13 g/mol | C(CC(=O)O)C(C(=O)O)N |
| TCMBANKIN007343 | Oxalic ether | Ethyl oxalate (VAN); Diethyl oxalate; WLN: 2OVVO2; EINECS 202-464-1; UN2525; InChI=1/C6H10O4/c1-3-9-5(7)6(8)10-4-2/h3-4H2,1-2H; ETHANEDIOIC ACID,DIETHYL ESTER (DIETHYLOXALATE); oxalic acid diethyl ester; 50128_FLUKA; Ethanedioic acid, diethyl ester; Ethyl oxalate; 95-92-1; Oxalic acid, diethyl ester; Ethyl oxalate [UN2525] [Poison]; 75712_FLUKA; NSC8851; 135364_ALDRICH; Diethyl ethanedioate; Diethylester kyseliny stavelove [Czech]; 4-02-00-01848 (Beilstein Handbook Reference); NSC 8851; BRN 0606350; ZINC01648270; ST5214573; HSDB 2131 | C6H10O4 | 146.14 | CCOC(=O)C(=O)OCC |
| TCMBANKIN008084 | Daturic acid | 67701-03-5; daturicacid; n-Heptadecylic acid; EINECS 266-928-5; 51610_FLUKA; 67255-22-5; 68424-37-3; NSC3743; (C16-C18)Alkylcarboxylic acid; WLN: QV16; NSC 3743; SDA 19-005-00; 8043-36-5; CH3-[CH2]15-COOH; EINECS 264-123-3; 506-12-7; LMFA01010017; AI3-36481; EINECS 208-027-1; Lead(2+) heptadecanoate; 37231-04-2; Margaric acid; 45237-52-3; n-Heptadecanoic acid; 7722-21-6; 63399-94-0; Heptadecylic acid; n-Heptadecoic acid; 39390-60-8; heptadecoic acid; 8000-11-1; (C16-C18) Alkylcarboxylic acid; daturic acid; C14-C22 Fatty acid residue; Heptadecanoic acid; Margarinsaeure; 8034-57-9; CHEBI:32365; Fatty acids, C14-22; 28829-31-4; 8034-58-0; 1338-46-1; 52051-63-5; EINECS 270-298-7; 8034-56-8; 4-02-00-01193 (Beilstein Handbook Reference); Fatty acids, C16-18; BRN 1781004; 176435-16-8; 45237-51-2; H3500_SIGMA; Margarinic acid | C17H34O2Pb | 478 g/mol | CCCCCCCCCCCCCCCCC(=O)O.[Pb] |
| TCMBANKIN009017 | Threonin | 89179_FLUKA; 48: PN: WO2004076659 FIGURE: 7 claimed sequence; D00041; 13095-55-1; Threonine, L- (8CI); 7013-32-3; L-Threonin; (2S)-threonine; CHEBI:16857; Threonine (VAN); Treonina [Spanish]; THREONINE (L); Threoninum [Latin]; T8625_SIAL; Butanoic acid, 2-amino-3-hydroxy-, (R-(R*,S*))-; 36676-50-3; Threonine (USP); (2S,3R)-2-Amino-3-hydroxybutyric acid; Threonine, labeled with carbon-14, L-; C00188; L-(U-14C)Threonine; L-Threonine (JP15); 2-Amino-3-hydroxybutanoic acid, (R-(R*,S*))-; NSC 16589; T8441_SIGMA; (S)-Threonine; Threonine [USAN:INN]; L-Threonine (9CI); EINECS 200-774-1; threonin; L-alpha-amino-beta-hydroxybutyric acid; (2S,3R)-2-amino-3-hydroxybutanoic acid; [R-(R*,S*)]-2-Amino-3-hydroxybutanoic acid; NSC 46701; (2S,3R)-2-amino-3-hydroxy-butanoic acid; T4071_SIAL; (2S,3R)-2-amino-3-hydroxy-butyric acid | C4H9NO3 | 119.12 g/mol | CC(C(C(=O)O)N)O |
| TCMBANKIN009064 | PHA | alpha-Aminohydrocinnamic acid, L-; C00079; NSC-9959; nchembio816-comp8; NCGC00013103; P2126_SIAL; beta-phenylalanine; FEMA No. 3585; Phenylalaninum [Latin]; NSC 79477; (S)-2-Amino-3-phenylpropanoic acid; (S)-2-Amino-3-phenylpropionic acid; L-Alanine, 3-phenyl-; NCGC00095047-01; (L)-Phenylalanine; Phenylalanine (VAN); (S)-alpha-Aminohydrocinnamic acid; alpha-Amino-beta-phenylpropionic acid, L-; (S)-alpha-Amino-benzenepropanoic acid; NCIStruc1_000204; Phenylalanine [USAN:INN:JAN]; Phenylalanine (USP/INN); 2-Amino-3-phenylpropionic acid, L-; NCI9959; MTY; 67675-33-6; EINECS 200-568-1; alpha-aminohydrocinnamic acid; (2S)-2-amino-3-phenyl-propionic acid; L-Phenylalanine (JP15); W358509_ALDRICH; Fenilalanina [Spanish]; CCRIS 6767; CHEBI:17295; (2S)-2-amino-3-phenylpropanoic acid; L-PHENYLALININE; NCGC00095047-02; Benzenepropanoic acid, alpha-amino-, (S)-; beta-Phenylalnine, (-)-; Hydrocinnamic acid, alpha-amino-; P8740_SIAL; 10549-09-4; (2S)-2-amino-3-phenyl-propanoic acid; 5297-02-9; P5482_SIGMA; LS-1515; (S)-(-)-Phenylalanine; (S)-alpha-Amino-beta-phenylpropionic acid; HSDB 1825; NCIStruc2_000248; beta-Phenyl-L-alanine; ST5406159; D00021; 78019_FLUKA; Phenylalanine, L-; NCGC00095047-04 | C35H36N4O5 | 592.7 g/mol | CCC1=C(C2=NC1=CC3=C(C4=C(N3)C(=C5C(C(C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)O)C(=C4O)C(=O)OC)C)C |
| TCMBANKIN010810 | ISOPALMITIC ACID | Isohexadecanoic acid; 14-methy-pentadecanoic acid; 70518-67-1; LMFA01020010; Pentadecanoic acid, 14-methyl-; 14-Methylpentadecanoic acid; 4669-02-7; 14-methyl pentadecylic acid; M6781_SIGMA; 32844-67-0; 68199-95-1; EINECS 251-256-7 | C16H32O2 | 256.42 g/mol | CC(C)CCCCCCCCCCCCC(=O)O |
| TCMBANKIN012543 | Fuseloel | W205710_ALDRICH; Isoamylol; Primary isoamyl alcohol; Isoamyl alcohol (primary and secondary); 59085_FLUKA; 59090_FLUKA; Huile de fusel; I9392_SIGMA; 3-Methyl-1-butanol; EINECS 204-633-5; Fermentation amyl alcohol; ZINC00896830; 277584_ALDRICH; Alcool isoamylique; 1-HYDROXY-3-METHYLBUTANE; 123-51-3; NSC 1029; Iso-amyl alcohol; Isopentanol; 3-Metil-butanolo; isopentan-1-ol; ISOAMYLALCOHOL; 1-Butanol, 3-methyl-; Fusel Oil; 309435_ALDRICH; M32658_SIAL; 3-METHYL-BUTAN-(1)-OL; NSC1029; 6423-06-9; WLN: Q2Y1 & 1; Alcool amilico [Italian]; FEMA No. 2057; Isoamyl alkohol; HSDB 605; Iso-amylalkohol [German]; IP3; Isopentyl alcohol (8CI); Isoamyl alcohol, primary; Isoamyl alkohol [Czech]; C07328; Isobutyl carbinol; Isoamyl alcohol; i-Amyl alcohol; 59092_FLUKA; Amylowy alkohol; Isobutylcarbinol; Isopentyl alcohol; AI3-15288; InChI=1/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H; FEMA Number 2057; Iso-amylalkohol; W205702_ALDRICH; Amylowy alkohol [Polish]; 3-Methylbutan-1-ol; Alcool isoamylique [French]; NSC7905; 320021_SIAL; Alcool amilico; 2-Methyl-4-butanol; 3-Metil-butanolo [Italian]; CHEBI:15837; Isoamyl alcohol (natural); 3-Methylbutanol | C5H12O | 88.15 | CC(C)CC[O-].CC(C)CC[O-].[Mg+2] |
| TCMBANKIN014511 | esculentoside d | AC1NSV8X; 11-hydroxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid; Ambotz7500053 | C37H58O12 | 694.8 g/mol | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)OC6C(C(C(C(O6)CO)O)O)O)O)C)C)C2C1)C)C(=O)O)C(=O)OC |
| TCMBANKIN016874 | lapphol e | ||||
| TCMBANKIN017180 | tiglic acid | NSC8999; trans-2,3-Dimethylacrylic acid; ST5307929; Tiglinic acid; alpha-Methylcrotonic acid, (E)-; trans-2-Methylcrotonic acid; EINECS 236-167-3; 2-methyl-2E-butenoic acid; 2-Butenoic acid, 2-methyl-, (E)-; alpha,beta-dimethyl acrylic acid; (E)-2-methylbut-2-enoate; 4-02-00-01552 (Beilstein Handbook Reference); A839954; alpha-methylcrotonic acid; EINECS 201-295-0; CHEBI:9592; Tiglinsaeure; C08279; (E)-2-Methylcrotonic acid; 2-Methyl-2-butenoic acid; 2-Butenoic acid, 2-methyl-; BRN 1236500; tiglicacid; trans-.alpha.,.beta.-Dimethylacrylic acid; (E)-2-Methyl-2-butenoic acid; NSC44235; 13201-46-2; (E)-2,3-Dimethylacrylic acid; 2-Methyl-2-butenoic acid, (E)-; FEMA No. 3599; (E)-2-Methylbut-2-enoic acid; Crotonic acid, 2-methyl-, (E)-; Cevadic acid; (2E)-2-methylbut-2-enoic acid; 89450_FLUKA; T35203_ALDRICH; 2-methylbut-2-enoic acid; 2,3-Dimethylacrylic acid, (E)-; AI3-36118; NSC 44235; 2-Butenoic acid, 2-methyl-, (E)- (9CI); (E)-2-methyl-2-Butenoate; 2-Butenoic acid, 2-methyl-, (2E)-; Tiglic acid; LMFA01020030; AC1ODZB2; trans-alpha,beta-Dimethylacrylic acid; W359904_ALDRICH; Crotonic acid, 2-methyl-; 80-59-1; trans-2-Methyl-2-butenoic acid; CHEBI:36432 | C5H8O2 | 100.12 g/mol | CC=C(C)C(=O)O |
| TCMBANKIN017993 | vitamin c | D01CWN; Cell C; Ronotec 100; P 1110; Suncoat VC 40; D-threo-hex-2-enoic acid gamma-lactone; Citrovit; 2-o-(beta-d-glucopyranosyl)-ascorbic acid_qt; Juvamine; SCHEMBL13468284; Vasc; CHEBI:51384; D-Lyxoascorbic acid; CHEMBL1253320; AK481251; Chewcee; D-xyloascorbic acid; C8DQ5M1Y1E; MLS001066386; AK322241; Ascorbic acid, D-; AC1LD8K5; E 300; Scorbu C; 10504-35-5; Ascorbicacid; l(+)-ascorbic acid; ZINC100006137; L-ascorbate (vitamin C); (5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyfuran-2(5H)-one; (+)-Ascorbic acid; UNII-C8DQ5M1Y1E; Ascorbinsaure; Ceklin; VC 97; (2S)-2-[(1R)-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)furan-3-one; Vicin; L-ascorbate acid; L-ascorbic acid; L-dehydroascorbic acid; ascorbate; D-threo-hex-2-enono-1,4-lactone; Kangbingfeng; D-Ascorbic acid; Viscorin 100M; ZINC100028197; (2S)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-3-furanone; L-Ascorbic acid (8CI,9CI); Proscorbin Redoxon Ribena Ronotec 100; Hex-2-enonic acid gamma-lactone, L-threo; (5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one; Ascorbic acid; DL-Ascorbic acid; AKOS000278050; Cebion, gamma-lactone; F91F7DA3-A3D5-4FB4-A6E7-C497C48D192A; GTPL4651; SMR000471843; Xyloascorbic acid, L-; Rontex 100; Rovimix C; (2S)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one; A828310 | C6H8O6 | 176.12 | C(C(C1C(=C(C(=O)O1)O)O)O)O |
| TCMBANKIN018414 | Aseanostatin P1 | Tridecanoic acid, 12-methyl; CHEBI:43722; LMFA01020007; 12-methyl-tridecanoic acid; 12-methyltridecylic acid; 12-Methyltridecanoic acid; 2724-57-4; M7281_SIGMA; Tridecanoic acid, 12-methyl-; ISOMYRISTIC ACID; (+)-Isomyristic acid | C14H28O2 | 228.37 | CC(C)CCCCCCCCCCC(=O)O |
| TCMBANKIN019730 | esculentoside F | esculentoside f | C41H64O16 | 812.9 g/mol | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)OC6C(C(C(CO6)OC7C(C(C(C(O7)CO)O)O)O)O)O)O)C)C)C2C1)C)C(=O)O)C(=O)O |
| TCMBANKIN022544 | ZINC00901303 | InChI=1/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H | C5H10O | 86.13 | |
| TCMBANKIN022916 | arctinin | ||||
| TCMBANKIN023472 | neoarctin b | C17683; neoarctin B; CHEBI:81272 | C42H46O12 | 742.8 g/mol | COC1=CC(=CC(=C1O)OC)CC2C(COC2=O)CC3=CC(=C(C=C3)C4=C(C=C(C=C4)CC5COC(=O)C5CC6=CC(=C(C(=C6)OC)O)OC)OC)OC |
| TCMBANKIN023588 | neoarctin A | C42H46O12 | 742.8 g/mol | COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)OC4=C(C=C(C=C4)CC5C(COC5=O)CC6=CC(=C(C(=C6)OC)O)OC)OC)OC)OC | |
| TCMBANKIN024334 | Arctic acid | 32155-99-0; arctic acid; AIDS373713; arcticacid; AIDS-373713; 5-(5-prop-1-ynyl-2-thienyl)-2-thiophenecarboxylic acid; 5-(5-prop-1-ynyl-2-thienyl)-2-thenoic acid; [2,2'-Bithiophene]-5-carboxylic acid, 5'-(1-propynyl)-; 5-(5-prop-1-ynylthiophen-2-yl)thiophene-2-carboxylic acid; 5-(5-prop-1-ynyl-2-thienyl)thiophene-2-carboxylic acid | C12H8O2S2 | 248.32 | CC#CC1=CC=C(S1)C2=CC=C(S2)C(=O)O |
| TCMBANKIN024628 | isoarctigenin | C21H24O6 | 372.4 g/mol | COC1=C(C=C(C=C1)CC2C(COC2=O)CC3=CC(=C(C=C3)O)OC)OC | |
| TCMBANKIN025358 | benzoic acid | Benzoic acid, 2-[(carboxymethyl)amino]-4-chloro-; 2-[(carboxymethyl)amino]-4-chlorobenzoic acid; DTXSID70455462; BG00311790; AC-17987; AX8062950; 2-carboxymethylamino-4-chlorobenzoic acid; KB-223858; AK140629; 99282-79-8; benzoicacid; CTK5I0315; 2-(Carboxymethyl-amino)-4-chloro-; AKOS015963713; SCHEMBL3236365; 2-(carboxymethylamino)-4-chlorobenzoic acid; benzoic acid ; 2-(CARBOXYMETHYL-AMINO)-4-CHLORO-BENZOIC ACID; AJ-79604; 2-((Carboxymethyl)amino)-4-chlorobenzoic acid; UDXGKLGUAJLLCJ-UHFFFAOYSA-N; ZINC21988796 | C7H6O2 | 122.12 | C1=CC(=C(C=C1Cl)NCC(=O)O)C(=O)O |
| TCMBANKIN026017 | h-Met-h | L-2-Amino-4methylthiobutyric acid; (2S)-2-amino-4-(methylthio)butanoic acid; NSC 22946; Methionine (USP); L-Methionine Z (TN); 2-Amino-4-methylthiobutanoic acid (S)-; L-Methionine-35S; Metionina [DCIT]; 24425-78-3; h-Met-oh; M9625_SIAL; (S)-methionine; nchembio816-comp7; Acimethin; (35S)Methionine; S-Methyl-L-homocysteine; Toxin WAR (Bacillus thuringiensis strain PS205C); Soft tissue sarcoma-associated protein (human clone WO2004048938-SEQID-1139); M8439_SIAL; (L)-Methionine; (2S)-2-amino-4-(methylthio)butyric acid; 3654-96-4; 64319_FLUKA; L-Methionine Z; 58576-49-1; EINECS 200-562-9; NCGC00160620-01; (S)-(+)-Methionine; (2S)-2-amino-4-methylsulfanylbutanoic acid; C00073; C-11 Met; Poly-L-methionine; Polymethionine; L-Homocysteine, S-methyl-; HSDB 4317; L-alpha-Amino-gamma-methylmercaptobutyric acid; D00019; CCRIS 5536; L-gamma-Methylthio-alpha-aminobutyric acid; L-Methionine, labeled with carbon-11; (S)-2-amino-4-(methylthio)butyric acid; NSC 118113; nchembio.2007.56-comp4; gamma-Methylthio-alpha-aminobutyric acid; Methionine [USAN:INN]; L-Methioninum; carbon-11 methionine; (S)-2-Amino-4-(methylmercapto)butyric acid; CCRIS 5528; 26062-47-5; C-11 Methionine; Methionine (VAN); (2S)-2-amino-4-methylsulfanyl-butanoic acid; (2S)-2-amino-4-(methylsulfanyl)butanoic acid; (S)-2-Amino-4-(methylthio)butanoic acid; Methionine C 11; 2-Amino-4-(methylthio)butyric acid, (S)-; Liquimeth; Methioninum [INN-Latin]; L-2-Amino-4-(methylthio)butanoic acid; Methionine, L- (8CI); L(-)-Amino-gamma-methylthiobutyric acid; L-Methionin; InChI=1/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8; CHEBI:16643; M5308_SIGMA; L-Methionine, homopolymer; L-Methionine (JP15); L-alpha-Amino-gamma-methylthiobutyric acid | C5H11NO2S | 149.21 g/mol | CSCCC(C(=O)O)N |
| TCMBANKIN026762 | WLN: G1R | TOLUENE,ALPHA-CHLORO; Benzene, chloromethyl-; Chloromethylbenzene; InChI=1/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H; Benzyl chloride, unstabilized [UN1738] [Poison, Corrosive]; Tolyl chloride; Toluene, alpha-chloro-; 185558_ALDRICH; 100-44-7; Merrifield resin; Chlorure de benzyle [French]; UN1738; CCRIS 79; ST5214092; 63862_FLUKA; .omega.-Chlorotoluene; 27987-13-9; (Chloromethyl)polystyrene; .alpha.-Chlorotoluene; NSC 8043; alpha-Chlortoluol [German]; Benzyl chloride; Benzylchlorid [German]; Toluene, .alpha.-chloro-; Benzylchloride; RCRA waste no. P028; NSC8043; NCI-C06360; nchembio814-comp11; BRN 0471308; CHLOROTOLUENE; Benzyl chloride [UN1738] [Poison]; Chlorophenylmethane; Benzile(cloruro di); HSDB 368; alpha-Chlorotoluene; 4-05-00-00809 (Beilstein Handbook Reference); Benzylchlorid; Chlorure de benzyle; 63875_FLUKA; Oxsol 10; 25168-05-2; Benzyle (chlorure de) [French]; Toluene, ar-chloro-; AI3-15518; .alpha.-Chlortoluol; Benzile (cloruro di) [Italian]; RCRA waste number P028; EINECS 246-698-2; 63861_FLUKA; 63864_FLUKA; (Chloromethyl)benzene; 643661_ALDRICH; Benzyle(chlorure de); 63868_FLUKA; NCGC00090818-01; EINECS 202-853-6; Chloromethyl on Rasta Resin; Benzene, (chloromethyl)- | C7H7Cl | 126.58 g/mol | C1=CC=C(C=C1)CCl |
| TCMBANKIN026954 | propyl cyclopentane | Propylcyclopentane; 82180_FLUKA; ST5411564; WLN: L5TJ A3; Cyclopentane, propyl-; n-Propylcyclopentane; BRN 1900338; NSC 73947; EINECS 218-042-5; 4-05-00-00125 (Beilstein Handbook Reference); NSC73947; 1-Cyclopentylpropane; InChI=1/C8H16/c1-2-5-8-6-3-4-7-8/h8H,2-7H2,1H; 2040-96-2 | C8H16 | 112.21 | CCCC1CCCC1 |
| TCMBANKIN027974 | L-Lysin | AI3-26523; h-Lys-oh; 3H-Lysine; EINECS 200-294-2; Lysine, L-; 20166-34-1; 48050-57-3; 2,6-Diaminohexanoic acid, (S)-; Hydrolysine; Lysine homopolymer, L-; Lysinum [Latin]; (S)-2,6-Diaminocaproic acid; Gidrolizin; L-Lysine, homopolymer; 280114-50-3; D02304; L5501_SIGMA; 12798-06-0; nchembio861-comp2; LYS (IUPAC abbreviation); Polylysine; 4-04-00-02717 (Beilstein Handbook Reference); (2S)-2,6-diaminohexanoic acid; L-Lysine, labeled with tritium; (S)-Lysine; (S)-alpha,epsilon-Diaminocaproic acid; L-103; L-Norleucine, 6-amino-; W384704_ALDRICH; Lisina [Spanish]; Aminutrin; alpha-Lysine; (2S)-2,6-Diamino-hexanoic acid; (S)-2,6-diaminohexanoic acid; 25104-18-1; CHEBI:18019; L9037_SIGMA; Hexanoic acid, 2,6-diamino-, (S)-; Hydrolysin; 62840_FLUKA; C00047; BRN 1722531; 6899-06-5; HSDB 2108; Lysine [USAN:INN]; Lysine (USAN); 26714-32-9 | C6H12N2O | 128.17 g/mol | C(CCN)C[CH+]C(=O)[NH-] |
| TCMBANKIN028363 | phytolaccine | C1C(N=C(C=C1C=CN2C(CC3=CC(=C(C=C32)O)OC4C(C(C(C(O4)CO)O)O)O)C(=O)O)C(=O)O)C(=O)O | |||
| TCMBANKIN028497 | phytolaccatoxin | ||||
| TCMBANKIN028756 | isobutyric acid | Kyselina isomaselna [Czech]; 240168_ALDRICH; Ammonium isobutyrate; 3F03259M1O; Dimethylacetic acid; NSC 62780; Propionic acid, 2-methyl-; Caswell No. 503AA; Propanoic acid,2-methyl-, ammonium salt (1:1); Isobutyric acid; Iso-butyric acid; 2-Methylpropanoic acid; 22228-82-6; Cenex RP b2; W222208_ALDRICH; EINECS 244-850-2; 2-methyl-propanoic acid; AC1L512W; Acetic acid, dimethyl-; iso-C3H7COOH; Caswell No. 044AA; Isobutyric acid (natural); ammonium 2-methylpropanoate; alpha-Methylpropanoic acid; Isobutyric acid [UN2529] [Flammable liquid]; EINECS 201-195-7; EPA Pesticide Chemical Code 101502; Propanoic acid, 2-methyl-, ammonium salt (1:1); Methylpropanoic acid, 2-; Isobuttersaeure; DTXSID2066771; CTK4E8936; AC1Q229N; 2-METHYL-PROPIONIC ACID; Tenox IBP-2; Tenox EBP 2; Isopropylformic acid; UN2529; 79-31-2; Isobutyrate; 2-Methylpropionic acid; LMFA01020071; Isobutanoate; .alpha.-Methylpropanoic acid; Tenox IBP-2 Grain Pr.; EPA Pesticide Chemical Code 101501; .alpha.-Methylpropionic acid; Isobutanoic acid; CHEBI:16135; ALQ; BRN 0635770; GR-9234; Propanoic acid, 2-methyl-, ammonium salt; isobutyricacid; 58360_FLUKA; InChI=1/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6; I1754_SIGMA; Propanoic acid, 2-methyl-; 79-31-2 (Parent); WLN: QVY1&1; C02632; FEMA No. 2222; 46935U_SUPELCO; NSC62780; 4-02-00-00843 (Beilstein Handbook Reference); azanium 2-methylpropanoate; alpha-Methylpropionic acid; SCHEMBL929931; ISB; AI3-24260; W222216_ALDRICH; HSDB 5228; UNII-3F03259M1O | C4H8O2 | 88.11 | CC(C)C(=O)O |
| TCMBANKIN030378 | 4-methylcyclohexanone | AC1Q2QQC; I14-20909; NSC 3816; InChI=1/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H; 0L1R78K79S; Z57073963; VGVHNLRUAMRIEW-UHFFFAOYSA-N; Methylcyclohexanone [UN2297] [Flammable liquid]; 4-methylcyclohexan-1-one; NSC-3816; 4-07-00-00044 (Beilstein Handbook Reference); ACN-036217; KSC271E7B; 4-methyl cyclohexanone; Methyl-4 cyclohexanone-1; F0001-1540; AI3-15916; TR-020466; CYCLOHEXANONE,4-METHYL; RTR-020466; BB_SC-6867; 4-Methylcyclohexanone, >=99%; BBL013180; KB-72735; LS-57333; 4-methyl-cyclohexan-1-one; AC1L1XJS; methycyclohexanone; PS-5543; AN-21521; EINECS 209-665-3; MolPort-001-769-168; BRN 0506746; 589-92-4; M0199; CJ-10929; UNII-0L1R78K79S; AKOS000118729; p-Methyl cyclohexanone; 4-Methyl-1-cyclohexanone; 4-METHYLCYCLOHEXANONE; A832099; ZINC3861284; 4-methylcyclohexane-1-one; AB1009831; SC-27685; BC219613; 4-Methyl-1-oxocyclohexane; AJ-46159; SCHEMBL104009; CTK1H1270; NSC3816; methyl-cyclohexanone; 4-METHYL-CYCLOHEXANONE; MCULE-5534475096; UN2297; KS-00000V7H; Metylocykloheksanon [Polish]; ACN-S002653; I14-9086; FEMA 3948; Metylocykloheksanon; J-515780; FT-0619075; RP19070; ST24023614; 4-Methylcyclohexanone, 99%; ACMC-1AVXU; AK114311; 5-METHYL-2-OXOCYCLOHEXYL; LS-57336; MFCD00001643; 4methylcyclohexanone; STL163959; Tetrahydro-p-cresol; Methylcyclohexanone [UN2297] [Flammable liquid]; TRA-0205797; 4-Methylcyclohexanone, 98% 25g; EINECS 215-556-1; Cyclohexanone, 4-methyl-; 40471-53-2; DTXSID5060435; Methyl-4 cyclohexanone-1 [French]; ANW-33108 | C7H12O | 112.17 g/mol | CC1CCC(=O)CC1 |
| TCMBANKIN030968 | esculentoside C | esculentoside c | C42H66O15 | 811 g/mol | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(CO6)OC7C(C(C(C(O7)CO)O)O)O)O)O)C)C)C2C1)C)C(=O)O)C(=O)OC |
| TCMBANKIN030975 | lignan | ethyl 6,7-dimethoxy-3-methyl-4-oxo-1-(3,4,5-trimethoxyphenyl; AC1L64PD; NSC93090; J3.625.444K; AKOS030600072; SCHEMBL30935; DTXSID90293944; CTK5C2772; AK642709; Lignan; 6549-68-4; ethyl 6,7-dimethoxy-3-methyl-4-oxo-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxylate; ethyl 6,7-dimethoxy-3-methyl-4-oxo-1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-naphthalene-2-carboxylate; NSC-93090; AC1Q6N8A | C25H30O8 | 458.5 g/mol | CCOC(=O)C1C(C(=O)C2=CC(=C(C=C2C1C3=CC(=C(C(=C3)OC)OC)OC)OC)OC)C |
| TCMBANKIN030998 | esculentic acid | AC1L4LQN; Olean-12-ene-28,29-dioic acid, 3,23-dihydroxy-, (3beta,4alpha,20beta)-; esculentoside O_qt; (2R,4aR,6aR,6aS,6bR,9R,10S,12aR,14bR)-10-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid; Esculentic acid (Phytolacca); 56283-68-2 | C30H46O6 | 502.7 g/mol | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1)C)C(=O)O)C(=O)O |
| TCMBANKIN031136 | Leucinum | polyleucine; (S)-2-Amino-4-methylpentanoic acid; Leucine (H-3); 71000-80-1; 2-Amino-4-methylpentanoic acid (L); L-Norvaline, 4-methyl-; Leucina [Latin,Spanish]; NCI46709; L8912_SIGMA; (2S)-2-amino-4-methyl-pentanoic acid; L-Leucine, homopolymer; (14C)Leucine, L-; L-2-Amino-4-methylpentanoic acid; 2-Amino-4-methylvaleric acid (L); Leucine (USP); (2S)-2-amino-4-methylpentanoic acid; Leucine [USAN:INN]; InChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s; FEMA No. 3297; Leucina [INN-Spanish]; L-Leucine, labeled with tritium; C00123; Leucine (VAN); l-(14C)Leucine; 21675-61-6; 25248-98-0; L8000_SIGMA; (S)-2-Amino-4-methylvaleric acid; NSC-46709; (3H)Leucine; (2S)-2-amino-4-methyl-valeric acid; L-Leucin; 2-Amino-4-methyl-valeric acid; W329703_ALDRICH; L-alpha-Aminoisocaproic acid; L6914_SIAL; NCIStruc1_001860; NCIStruc2_000010; (S)-2-Amino-4-methyl-pentanoic acid; L-Leuzin; NCGC00013565; 14C-Leucine; L-Leucine (JP15); Poly(L-leucine); (S)-Leucine; Valeric acid, 2-amino-4-methyl-, (S)-; L-Leucine, labeled with carbon-14; CHEBI:15603; NSC 46709; 72706_FLUKA; D00030; AI3-08899; Leucinum [INN-Latin]; 61819_FLUKA; 70-45-1; alpha-aminoisocaproic acid; EINECS 200-522-0; Leucin [German]; 2-Amino-4-methylpentanoic acid, (S)- | C6H13NO2 | 131.17 g/mol | CC(C)CC(C(=O)O)N |
| TCMBANKIN033712 | Dihydroaplotaxene | dihydroaplotaxene; (8Z,11Z)-heptadeca-1,8,11-triene; (Z,Z)-1,8,11-Heptadecatriene; EINECS 260-005-0; 56134-03-3; 1,8,11-Heptadecatriene, (Z,Z)-; (Z,Z)-Heptadeca-1,8,11-triene | C17H30 | 234.42 | CCCCCC=CCC=CCCCCCC=C |
| TCMBANKIN033873 | esculentoside E | esculentoside e; AC1O3DA2; 11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid | C35H54O11 | 650.8 g/mol | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)OC6C(C(C(CO6)O)O)O)O)C)C)C2C1)C)C(=O)O)C(=O)O |
| TCMBANKIN034198 | acetic acid | AI3-02394; NSC132953; Azijnzuur [Dutch]; Acido acetico [Italian]; Essigsaeure [German]; InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4; Pyroligneous acid; CARBOXYMETHYL GROUP; Caswell No. 003; 45727_FLUKA; A8976_SIAL; A6283_SIAL; 64-19-7; BRN 0506007; 318590_ALDRICH; 45730_FLUKA; 77671-22-8; cellulose diacetate; Acetic acid solution, with more than 10% and less than 50% acid, by mass [UN2790] [Corrosive]; 9035-69-2; 49199_FLUKA; Cellulose diacetate [USAN]; Cellulose, diacetate; FEMA Number 2006; W200611_ALDRICH; CBM; 320099_SIAL; Methanecarboxylic acid; 45726_FLUKA; NCIOpen2_000682; Glacial acetic acid; Acetic acid (JP15/NF); ethanoic acid; 207004-55-5; Otic Tridesilon; 40209_RIEDEL; Acetic acid, propionic acid distillate; NSC406306; 537020_SIAL; 45725_FLUKA; WLN: QV1; LS-2535; Acetic acid, glacial; 27225_RIEDEL; Ethylic acid; AKOS006290339; 07692_FLUKA; ACY; NSC 132953; ACT; 33206_RIEDEL; EPA Pesticide Chemical Code 044001; 380121_SIAL; W200603_ALDRICH; Acetic acid, glacial (USP); ethoic acid; Acetic acid, glacial or acetic acid solution, >80% acid, by mass [UN2789] [Corrosive]; 34254_RIEDEL; 4-02-00-00094 (Beilstein Handbook Reference); 46928_SUPELCO; Acido acetico; C00033; Acetasol (TN); Acetic acid solution, not less than 50% but more than 80% acid, by mass [UN2790] [Corrosive]; Carboxylic acids, C2-3; CHEBI:15366; Acetic acid, of a concentration of more than 10 per cent, by weight, of acetic acid; 45732_FLUKA; Acetic acid [JAN]; Octowy kwas [Polish]; Essigsaeure; Vinegar acid; 242853_SIAL; Glacial acetic acid (JP15); 38050_RIEDEL; A9967_SIAL; LS-1541; 38051_RIEDEL; Kyselina octova [Czech]; ST5213882; Acetate standard for IC; 33209_RIEDEL; UN2790; 40273_RIEDEL; Azijnzuur; Acetic acid solution; Acetic acid (natural); D00010; LMFA01010002; 27218_RIEDEL; Acetic acid, aqueous solution; HSDB 40; 68475-71-8; 34255_RIEDEL; NCIOpen2_000659; 34256_RIEDEL; FEMA No. 2006; CCRIS 5952; Acide acetique; Acetic acid, diluted; Acetasol; Octowy kwas; 71251_FLUKA; 338826_SIAL; EINECS 200-580-7; 13669_FLUKA; Acide acetique [French]; CH3-COOH; 45754_FLUKA; 157090-22-7; Acetic acid, water solutions; UN2789 | C5H10O3 | 118.13 | CC(=O)NCCC1=CN(C2=C1C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Cl |
| TCMBANKIN034247 | (4aR,8aS)-7-isopropylidene-4a-methyl-1-methylenedecalin | (4aS,8aR)-8a-methyl-4-methylidene-6-propan-2-ylidene-2,3,4a,5,7,8-hexahydro-1H-naphthalene; (4aR,8aS)-7-isopropylidene-4a-methyl-1-methylene-decalin | C15H24 | 204.35 | |
| TCMBANKIN034828 | oxyristic acid | ||||
| TCMBANKIN035354 | Pentadecanol | CS-W004295; EINECS 267-006-5; UNII-2C8M6XLB5C component REIUXOLGHVXAEO-UHFFFAOYSA-N; MolPort-003-932-224; MFCD00004759; pentadecanol; 1-PENTADECANOL; 333QVA4G2Q; DSSTox_GSID_27270; CHEMBL26561; AK126490; LMFA05000194; 39433-03-9; STL453722; UNII-333QVA4G2Q; AI3-33881; Neodol 5; AC1L1ZIC; ST2419772; NCGC00259248-01; Pentadecyl alcohol; InChI=1/C15H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-15H2,1H; Tox21_300553; EBD2204704; NE10352; C12-18 alcohols; EINECS 211-107-9; F0001-1704; n-1-Pentadecanol; 1-Pentadecanol, 99%; P0036; UNII-135SF8G7FQ component REIUXOLGHVXAEO-UHFFFAOYSA-N; KB-259209; 76520_FLUKA; 60650-33-1; CHEBI:77468; KS-000011U9; 412228_ALDRICH; SCHEMBL29548; ZINC38141455; n-Pentadecanol; 67762-25-8; NCGC00254478-01; (C12-C18)-Alkyl alcohol; 1-pentadecanol (ACD/Name 4.0); NCGC00164169-02; 629-76-5; I14-19383; pentadecan-1-ol;; FT-0608196; NSC-66446; RTR-021678; pentadecan-1-ol; Pentadecanol-(1); NSC66446; DSSTox_RID_78381; TR-021678; Tox21_201699; ACMC-1CK30; 39457-30-2; DTXSID0027270; NCGC00164169-01; CAS-629-76-5; CTK1C3820; NCGC00164169-03; BP-30139; 6305AF; Alcohols, C12-18; n-pPentadecanol; ANW-34487; 1-Pentadecanol; C15H32O; 1991DA79-7140-48B0-9F03-1E3D88AC4F28; TRA0077159; REIUXOLGHVXAEO-UHFFFAOYSA-N; 39387-31-0; n-pentadecyl alcohol; 63393-83-9; NSC 66446; DSSTox_CID_7270; TL8004341; 31389-11-4; AKOS009031435 | C15H32O | 228.41 g/mol | CCCCCCCCCCCCCCCO |
| TCMBANKIN036613 | lappaol e, c, f | ||||
| TCMBANKIN036799 | esculentoside A | 10-[4,5-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-11-hydroxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid; I07-0298; AC1L2O75; AKOS015897137; AN-38653; Phytolaccoside E; Olean-12-ene-28,29-dioic acid, 3-((4-O-beta-D-glucopyranosyl-beta-D-xylopyranosyl)oxy)-2,23-dihydroxy-, 29-methyl ester, (2beta,3beta,4alpha,20beta)-; FT-0688340; Esculentoside-A; Olean-12-ene-28,29-dioic acid, 2,23-dihydroxy-3-((4-O-beta-D-glucopyranosyl-beta-D-xylopyranosyl)oxy)-, 29-methyl ester, (2-beta,3-beta,4-alpha,20-beta)-; (2b,3b,4a,20b)-3-((4-O-beta-D-Glucopyranosyl-beta-D-xylopyranosyl)oxy)-2,23-dihydroxyolean-12-ene-28,29-dioic acid 29-methyl ester; 4-o-(2,23,28-trihydroxy-29-methoxy-28,29-dioxoolean-12-en-3-yl)pentopyranosyl hexopyranoside; esculentoside a; 10-[4,5-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-11-hydroxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid; Phytolaccasaponin E; AC1Q5ZMK; LS-98284 | C42H66O16 | 827 g/mol | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)OC6COC(C(C6O)O)OC7C(C(C(C(O7)CO)O)O)O)O)C)C)C2C1)C)C(=O)O)C(=O)OC |
| TCMBANKIN036840 | protocatechuic acid | 3,4-Dihydroxybenzoic acid; MLS000737807; c0120; 4-Carboxy-1,2-dihydroxybenzene; InChI=1/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11; NSC 16631; ZB000710; Benzoic acid, 3,4-dihydroxy-; 4,5-dihydroxybenzoate; 3,4-dihydrobenzoic acid; DHB; DB03946; AC1N59J2; CCRIS 6291; AIDS082396; Protocatehuic acid; BRN 1448841; protocatechuicacid; 3,4-dihydroxybenzoate; SMR000528167; D-3487; EINECS 202-760-0; 4,5-Dihydroxybenzoic acid; C00230; Catechol-4-carboxylic Acid; 3,4-DHBA; Protocatechuic acid polymer; CHEBI:36241; 2buv; 4-10-00-01459 (Beilstein Handbook Reference); AIDS-082396; 99-50-3; A846038; AIDS002961; Oxidative polymer of protocatechuic acid; 37580_FLUKA; AIDS-002961; 1ykp; Benzoic acid, 3,4-dihydroxy- (9CI); NSC16631; 3,4-bis(oxidanyl)benzoate; CHEBI:36062; 3, 4-Dihydroxybenzoic acid; TULIP017459 | C18H14O8 | 358.299 | c12c(O[C@]([H])(c3c([H])c([H])c(O[H])c(O[H])c3[H])[C@@]1([H])C(=O)O[H])c(O[H])c([H])c([H])c2\C([H])=C([H])\C(O[H])=O |
| TCMBANKIN036901 | myristic acid | 1-Tridecanecarboxylic acid; Myristinsaeure; CH3-[CH2]12-COOH; 70079_FLUKA; AI3-15381; LMFA01010014; CH3-[CH2]12-COO(-); NCGC00091068-02; Myristic acid-[9,10-3H]; C06424; Emery 655; myristic acid ; NSC 5028; 70082_FLUKA; C14 fatty acid; ST023797; W276405_ALDRICH; CCRIS 4724; Kortacid 1499; 3uev; TUNFSRHWOTWDNC-UHFFFAOYSA-M; Tetradecanoic acid; EINECS 250-924-5; n-Tetradecoic acid; 4-02-00-01126 (Beilstein Handbook Reference); Hydrofol acid 1495; MYR; BRN 0508624; Myristate; Myristic acid (natural); Tetradecanoate; LS-190125; Crodacid; Myristic acid (8CI); EINECS 208-875-2; Prifac 2942; Myristic acid; AIDS002505; tetradecoate; W276413_ALDRICH; FEMA No. 2764; HSDB 5686; Philacid 1400; CHEBI:28875; Edenor C 14; n-tetradecoate; 45184-05-2; myristicacid; tetradecoic acid; n-Tetradecanoic acid; M3128_SIGMA; AIDS-002505; Univol U 316S; Lead dimyristate; AC1N2PSK; NCGC00091068-01; neo-Fat 14; NSC5028; Tetradecanoic acid (9CI); Hystrene 9014; Myristic acid, pure; M4792_SIGMA; CHEBI:30807; n-Tetradecan-1-oic acid; WLN: QV13; 1-tetradecanecarboxylate; 32112-52-0; n-tetradecan-1-oate; 544-63-8 | C14H28O2 | 228.371 | C([H])([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] |
| TCMBANKIN037001 | alpha-Guaiene | (1S,4S,7R)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulene; alpha-guaiene; α-guaiene; (1S,4S,7R)-7-isopropenyl-1,4-dimethyl-1,2,3,4,5,6,7,8-octahydroazulene | C15H24 | 204.35 g/mol | CC1CCC(CC2=C1CCC2C)C(=C)C |
| TCMBANKIN038150 | Lappaol C | 64855-00-1; 4-[[3-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-y; 2(3H)-Furanone, dihydro-4-((4-hydroxy-3-(2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethyl)-5-methoxyphenyl)methyl)-3-((4-hydroxy-3-methoxyphenyl)methyl)-, (3R,4R)-; 9R9RZN471Y; CHEBI:81275; C17686; lappaol c; UNII-9R9RZN471Y; LAPPAOL C | 555 | ||
| TCMBANKIN038754 | Arctiin | 4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-oxolanone; 2-(hydroxymethyl)-6-methyloxane-3,4,5-triol; (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]methyl]tetrahydrofuran-2-one; AIDS-002468; (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]methyl]-2-tetrahydrofuranone; (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]methyl]oxolan-2-one; 2(3H)-Furanone, 4-((3,4-dimethoxyphenyl)methyl)-3-((4-(beta-D-glucopyranosyloxy)-3-methoxyphenyl)methyl)dihydro-, (3R-trans)- (9CI); Arctiin (8CI); 2(3H)-Furanone, 4-[(3,4-dimethoxyphenyl)methyl]-3-[[4-(b-D-glucopyranosyloxy)-3-methoxyphenyl]methyl]dihydro-, (3R,4R)-; (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one; AIDS002468; (3R,4R)-4-(3,4-dimethoxybenzyl)-3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-benzyl]tetrahydrofuran-2-one; NSC 315527; ACon1_001261; 4-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methoxy-4-oxidanyl-phenyl)methyl]oxolan-2-one; 2-(hydroxymethyl)-6-methyl-oxane-3,4,5-triol; MEGxp0_000527; A814488 | C27H34O11 | 535 | c1(OC([H])([H])[H])c([H])c(C([H])([H])[C@@]2([H])C(=O)OC([H])([H])[C@]2([H])C([H])([H])c3c([H])c(OC([H])([H])[H])c(O[C@]4([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H]) c([H])c3[H])c([H])c([H])c1OC([H])([H])[H] |
| TCMBANKIN039097 | Lappaol A | LAPPAOL A; CHEBI:81273; UNII-YU544603T7; 62333-08-8; lappaol a; YU544603T7; C17684 | 536.57 | ||
| TCMBANKIN039597 | glutamic acid | AC1NP0EB; L-glutamate; [(2S)-1,5-dihydroxy-1,5-dioxopentan-2-yl]azanium; (2S)-2-Ammonioglutaric acid; 4o3b; 3dln; 3u93; 1s50; 2c6g; 3lmk; 4io2; 2i3v; 2a5s | C5H10NO4+ | 148.14 g/mol | C(CC(=O)O)C(C(=O)O)[NH3+] |
| TCMBANKIN040539 | lappaol D | C17812; CHEBI:81350; lappaol d | C31H36O10 | 569 | c1([C@@]([H])(C([H])([H])O[H])[C@]([H])(c2c([H])c(OC([H])([H])[H])c(O[H])c([H])c2[H])O[H])c([H])c(C([H])([H])[C@]3(C(=O)OC([H])([H])[C@]3([H])C([H])([H])c4c([H])c([H])c(OC([H])([H])[H])c(OC([H])([H])[ H])c4[H])[H])c([H])c(OC([H])([H])[H])c1O[H] |
| TCMBANKIN040568 | acinospesigenin c | C31H46O8 | 546.7 g/mol | CC1(CCC2(CCC3(C(=CC(C4C3(CCC5C4(CC(C(C5(C)C=O)O)O)C)C)O)C2C1)C)C(=O)O)C(=O)OC | |
| TCMBANKIN040878 | Lappaol F | lappaol f | 714.75 | ||
| TCMBANKIN041194 | Lappaol E | lappaol e | C30H34O10 | 554.59 | COC1=C(C=CC(=C1)CC2C(COC2=O)CC3=CC(=C(C=C3)OC(CO)C(C4=CC(=C(C=C4)O)OC)O)OC)O |
| TCMBANKIN041272 | stearic acid | 4-02-00-01206 (Beilstein Handbook Reference); AIDS-049230; Emersol 871; 8039-52-9; 126539-56-8; stearic acid, ion(1-); D00119; octadecoic acid; Hydrofol Acid 150 (VAN); 134503-33-6; Fatty acids C16-18; 68937-76-8; Kam 2000; VLZ 200; Lunac S 98; Glycon S-80; Hy-phi 1205; Lunac YA; Pristerene 9429; Pristerene 4900; Octadecanoic acid (9CI); Hystrene 9718NF; Edenor FHTI; Cetylacetic acid; NAA 173; NSC 25956; Lunac S 90; S 30C S 30C (fatty acid); Neo-Fat 18-61; Dar-chem 14; NSC25956; Edenor HT-JG 60; Octadecanoate; 57485-56-0; Oktadekansaeure; S 300 (fatty acid); Unister NAA 180; Industrene 5016; Prisorine 3508; Hydrofol Acid 150; Hystrene 4516; G 270; Stearic Acid Cherry; Century 1230; 822-16-2 (SODIUM SALT); NCGC00091596-02; Glycon S-90; 85404-83-7; NCGC00091596-01; Stearic acid (JP15/NF); Hystrene 5016; Hy-phi 1303; Glycon S-70; C01530; Octadecansaeure; Neo-Fat 18-55; WO 2 (fatty acid); Pristerene 9559; SA 200; Century 1240; Stearic acid, pure; Sunfat 18S; WO 2; CHEBI:28842; Industrene 5016K; LS-2392; Kam 3000; BRN 0608585; Edenor ST 20; AIDS049230; Lunac 30; EINECS 273-087-8; Emersol 150; 175366_SIAL; 8039-54-1; Fatty acids, C16-20; stearicacid; Stearic acid ion(1-)salt; Stearic acid (8CI); Stearinsaeure; Emersol 153NF; Hydrofol acid 1855; 57-11-4; Lunac S 30; Hystrene T 70; Prisorine 3501; Haimaric MKH(R); Stearex Beads; Groco 55; Hystrene S-97; Neo-Fat 18-54; W303518_ALDRICH; Hydrofol acid 1655; Nonsoul SN 1 (*Sodium salt*); EINECS 200-313-4; 39390-61-9; Emersol 120; EPA Pesticide Chemical Code 079082; Lunac S 20; Octadecanoic acid, ion(1-); 8013-28-3; AI3-00909; Kortacid 1895; FEMA No. 3035; Hystrene S 97; 82497-27-6; Tegostearic 254; SNA-2000 (*Sodium salt*); 1-Heptadecanecarboxylic acid; AC1MHWEJ; STL280244; 27405_RIEDEL; Steric acid; Industrene 9018; Glycon dp; F 3 (lubricant); Hy-phi 1401; Lunac S 50; Emersol 132; Stearic acid, ion(1-) (8CI); CH3-[CH2]16-COO(-); acide octadecanoique; Groco 55l; 73297_FLUKA; Serfax MT 90; Stearic acid [USAN:JAN]; 8039-51-8; acide stearique; Kam 1000; Acidum stearinicul; InChI=1/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20; 8039-53-0; 17FA; Stearophanic acid; 8037-83-0; Hystrene 7018; FA 1655; Prisorine 3502; Nonsoul SK 1; Hydrofol Acid 1895; Lunac S 40; Stearic acid 50; 8023-06-1; 85679_FLUKA; HSDB 2000; n-Octadecanoate; 400JB9103-88; Glycon tp; Unimac 5680; Loxiol G 20; Stearate; 875D; Octadecanoic acid; Neo-Fat 18-53; octadecanoate (n-C18:0); Radiacid 0427; Emery 871; Vanicol; Vis-Plus; PD 185; EINECS 250-178-0; AKOS022105769; 646-29-7; Edenor ST 1; S 300; Caswell No. 801D; Selosol 920; Tegostearic 272; Isostearic acid EX; A 1760; WLN: QV17; Stearic acid (TN); Pearl stearic; 609343-71-7; Palmitic acid - stearic acid mixture; Emersol 875; Industrene 8718; Hystrene 9718NFFG; NCGC00164255-02; ST023799; LMFA01010018; Groco 54; Edenor C18; Hystrene T-70; Hy-phi 1199; CTK8J8420; n-Octadecanoic acid; Groco 58; Pristerene 4963; Formula 300; AFCO-Chem B 65; CCRIS 2305; Industrene R; Century 1220; S4751_SIGMA; Neo-Fat 18; 58392-66-8; Barolub FTA; Hystrene 9718; CH3-[CH2]16-COOH; STE; 8037-40-9; 30399-84-9; Lunac S 90KC; Hydrofol 1895; Emery 875D; Century 1210; QIQXTHQIDYTFRH-UHFFFAOYSA-M; Neo-Fat 18-59; LS-1388; Groco 59; Humko Industrene R; Hystrene 80; Adeka Fatty Acid SA 910; Stearic acid; Prifac 2918; Emersol 6349; Edenor C 18/98; 3uex; LS-97707; CHEBI:25629; Neo-Fat 18-S; Stearic acid - palmitic acid mixture; Tegostearic 255; C-Lube 10 | C18H36O2 | 284 | C([H])([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])= O |
| TCMBANKIN041592 | jaligonic acid | NSC-249338; 10,11-dihydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid; Jaligonic acid; (2S,4aR,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10,11-dihydroxy-2,6a,6b,9,12a-pentamethyl-9-methylol-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid; NSC 249338; jaligonicacid; (2beta,3beta,4alpha,20 beta)-2,3,23-Trihydroxy-olean-12-ene-28,29-dioic acid; AC1L7W4M; NSC249338; (2S,4aR,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid | C30H46O7 | 518.7 g/mol | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1)C)C(=O)O)C(=O)O |
| TCMBANKIN041845 | Lappaol H | lappaol h | 750.78 | ||
| TCMBANKIN043767 | epitaraxerol | C30H50O | 426.7 g/mol | CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)C)C | |
| TCMBANKIN043906 | Lappaol B | 2(3H)-Furanone, 3-(((2S,3R)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-5-benzofuranyl)methyl)-4-((3,4-dimethoxyphenyl)methyl)dihydro-, (3R,4R)-; 62359-60-8; CHEBI:81274; 4-[(3,4-dimethoxyphenyl)methyl]-3-[[2-(4-hydroxy-3-methoxyph; lappaol b; E9QPE836PM; LAPPAOL B; UNII-E9QPE836PM; C17685 | 550.6 g/mol | ||
| TCMBANKIN044622 | acinospesigenin | C32H48O8 | |||
| TCMBANKIN044799 | Acinospesigenin B | 530.7 g/mol | |||
| TCMBANKIN047216 | dihydrokaranone | (?)-Dihydrokaranone; (4aR,5S)-4a,5-dimethyl-3-propan-2-ylidene-5,6,7,8-tetrahydro-4H-naphthalen-2-one; (4aR,5S)-3-isopropylidene-4a,5-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-one; dihydrokaranone; 19598-45-9 | C15H22O | 218.335 | C1(=O)\C(=C(/C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[C@@]2(C([H])([H])[H])C(C([H])([H])C([H])([H])C([H])([H])[C@]2([H])C([H])([H])[H])=C1[H] |
| TCMBANKIN047409 | esculentoside H | esculentoside h | C48H76O21 | 989.1 g/mol | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)OC6C(C(C(CO6)OC7C(C(C(C(O7)CO)O)O)O)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C(=O)OC |
| TCMBANKIN047428 | Acinospesigenin A | LMPR0106160001; Acinospesigenin A | 516.7 g/mol | ||
| TCMBANKIN049334 | Isoastilbin | 4H-1-Benzopyran-4-one, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-, (2R,3R)-; (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chroman-4-one; (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one; 29838-67-3; (2R,3R)-3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one; BG01741591; dihydroquercetin-3-O-alpha-LRhap; (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one; NCGC00168909-01; Dihydroquercetin 3-O-.alpha.-L-rhamnopyranoside; (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside; 4H-1-Benzopyran-4-one, 3-[(6-deoxy-.alpha.-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-, (2R,3R)-; NCGC00168909-02!(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one; AKOS025402308; ZINC31156118; (2R-trans)-3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-2-(3,4- dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one; Dihydroquercitrin; MEGxp0_000363; AN-8429; W1551; ACon1_000616; 4H-1-Benzopyran-4-one,3-[(6-deoxy-a-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-,(2R,3R)-; A-l-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4h-1-benzopyran-4-one; MolPort-001-740-537; NP-000928; 4H-1-Benzopyran-4-one, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-, (2R-trans)-; Taxifolin 3-O-rhamnoside; AK175743; (2r-trans)-3-((6-deoxy-; C17449; AC-8008; (2R-trans)-3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one; 54141-72-9; Isoastilbin; BG01156477; AC1Q6NL7; CHEMBL486017; ZROGCCBNZBKLEL-MPRHSVQHSA-N; CHEBI:38200; MCULE-6234117773; Neoisoastilbin; Astilbin; Q-100379; AC1L3OHH | C21H22O11 | 450.393 | c1(O[H])c([H])c(O[C@]([H])(c2c([H])c(O[H])c([H])c(O[H])c2[H])[C@@](O[C@@]([H])(O[C@@]3([H])C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])([H])C4=O)c4c(O[H])c1[H] |
| TCMBANKIN049519 | esculentoside G | Oleana-9(11),12-diene-28,29-dioic acid, 3-((4-O-beta-D-glucopyranosyl-beta-D-xylopyranosyl)oxy)-2,23-dihydroxy-, 28-beta-D-glucopyranosyl 29-methyl ester, (2beta,3beta,4alpha,20beta)-; AC1MJ0IR; esculentoside g; 2-O-methyl 4a-O-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 10-[3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,7,8,8a,10,11,12,14b-dodecahydropicene-2,4a-dicarboxylate | C49H80O20 | 989 | [C@@]1([H])(O[H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])=C([C@@]([H])(C([H])([H])[C@](C(OC([H])([H])[H])=O)(C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]2([C@]([H])(OO[H])[C@]([H])(O [C@]([H])(C([H])([H])O[H])[C@@]3([H])O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C([H])([H])C4([H])[H])[C@@]45C([H])([H])[H])[C@@]5(C([H])([H])[H])C([H])([H])C6([H])[H])[C@@]6([H])[C@](C([H])([H])[H])(C([H])( [H])O[H])[C@@]1([H])O[C@]([H])(OC([H])([H])[C@@]7([H])O[H])[C@]([H])(O[C@]([H])(C([H])([H])[C@]([H])(C([H])([H])O[H])[C@@]8([H])O[H])[C@]([H])(O[H])[C@@]8([H])O[H])[C@@]7([H])O[H] |
| TCMBANKIN049657 | Acetylmyricadiol | ||||
| TCMBANKIN049707 | isolappaol C | C30H34O10 | 554.6 g/mol | COC1=CC(=CC(=C1O)C(CO)C(C2=CC(=C(C=C2)O)OC)O)CC3C(COC3=O)CC4=CC(=C(C=C4)O)OC | |
| TCMBANKIN049763 | esculentoside B | AC1NSV8U; esculentoside b; 11-hydroxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,12a-tetramethyl-9-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid | C36H56O11 | 665 | [C@@]1([H])(O[H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])=C([C@]([H])(C([H])([H])[C@](C(OC([H])([H])[H])=O)(C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]2(C(=O)O[H])C([H])([H])C3([H]) [H])[C@@]34C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C5([H])[H])[C@]5([H])[C@@](C([H])([H])O[H])(C([H])([H])[H])[C@@]1([H])O[C@]([H])(OC([H])([H])[C@@]6([H])O[H])[C@]([H])(O[H])[C@@]6([H])O[H] |
| TCMBANKIN050326 | saponin | Saponin | C45H73NO15 | 868 | [C@]1([H])(O[H])[C@@]([H])(C([H])([H])O[H])O[C@@]([H])(O[C@]2([H])[C@@]([H])(O[C@@]3([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]3([H])O[H])[C@]([H])(O[C@]4([H])C([H])([H])C(=C( [H])C([H])([H])[C@]5([H])[C@]6([H])C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@]([H])(C([H])([H])[H])[C@@]([H])(C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C7([H])[H])N78)[C@]8([H])C9( [H])[H])[C@]59[H])[C@]6(C([H])([H])[H])C([H])([H])C4([H])[H])O[C@]([H])(C([H])([H])O[H])[C@]2([H])O[H])[C@]([H])(O[H])[C@@]1([H])O[H] |
| TCMBANKIN057923 | glycin | Tocris-0219; G5417_SIGMA; WLN: Z1VQ; LS-218; 56-40-6; Glycosthene; G7126_SIGMA; Hgly; Glycine-UL-14C hydrochloride; EINECS 200-272-2; Padil; Polyglycine II; AB-131/40217813; Acido aminoacetico [INN-Spanish]; Glycine [INN]; G7403_SIGMA; CCRIS 5915; GLY (IUPAC abbrev); W328707_ALDRICH; Glycine-2-3H; G3649_SIGMA; InChI=1/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5; Glycine iron sulphate (1:1); NSC 25936; P8791_SIGMA; Leimzucker; Gyn-Hydralin; D00011; Aminoessigsaeure; 50046_FLUKA; Acidum aminoaceticum [INN-Latin]; Aminoethanoic acid; aminoacetic acid; AI3-04085; 33242-26-1; H2N-CH2-COOH; C00037; G8898_SIGMA; Glyzin; G0398_SIGMA; Amitone; Hampshire glycine; Glycocoll; G5523_SIGMA; Acide aminoacetique [INN-French]; Glycine-carboxy-14C hydrochloride; Glicina [INN-Spanish]; Glycinum [INN-Latin]; Glykokoll; ST5213923; 15527_RIEDEL; 7490-95-1; NChemBio.2007.13-comp1; Glycine, non-medical; BPBio1_001222; Biomol-NT_000195; 57678-19-0; Glycolixir; 63183-41-5; 87867-94-5; HSDB 495; AIDS071643; FEMA No. 3287; CHEBI:15428; 33226_RIEDEL; Sucre de gelatine; 17829-66-2; 410225_SIAL; NCGC00024503-01; 2-Aminoacetic acid; Aminoazijnzuur; NSC25936; Glycine (JP15/USP); polyglycine; 52955-63-2; carbonocyanidic acid; 32817-15-5; 2-aminoethanoic acid; Aciport; L-Glycine; Glicoamin; 25718-94-9; Acetic acid, amino-; G8790_SIGMA; AIDS-071643; NCGC00024503-02; Glycine, homopolymer (VAN); glycine;CHEMBL451140; N'-[N-(2a,3b-Dihydroxy-12-oleanen-28-oyl)-L-alanyl]-glycine; 2-[[(2S)-2-[[(4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carbonyl]amino]propanoyl]amino]acetic acid;GLY | C2H5NO2 | 75.07 g/mol | C(C(=O)O)N |
| TCMBANKIN057927 | D-Asparaginsaeure | (R)-Aspartic acid; Tocris-0213; Lopac-A-9256; (2R)-2-aminosuccinic acid; NCGC00024498-01; aspartic acid D-form; Biomol-NT_000167; (2R)-2-aminobutanedioic acid; (R)-2-aminobutanedioic acid; C00402; NCGC00015104-01; PDSP1_001545; NCGC00024498-03; (-)-Aspartic acid; (R)-2-aminosuccinic acid; Aspartic acid, D-; InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9; BPBio1_001126; PDSP2_001529; 219096_ALDRICH; NCGC00024498-02; BRN 1723529; CHEBI:17364; NSC 97922; EINECS 217-234-6; (R)-(−)-Aminosuccinic acid;AC1O70SP; (3S)-3-amino-4-oxobutanoic acid; (S)-3-Formyl-beta-alanine; AKOS006351600; SCHEMBL8536 | C13H15NO6 | 281.26 | C(C(C(=O)O)N)C(=O)O |
| TCMBANKIN057929 | serine | (s)-serine;H-Ser; Serinum [Latin]; 56-45-1; SCHEMBL1775; L-Serine, Vetec(TM) reagent grade, >=99%; bmse000867; (2S)-2-amino-3-hydroxypropanoic acid; Serine (L-Serine); EC 200-274-3; 6898-95-9; CS-W020136; L-Serine, homopolymer; CHEBI:17115; H-Ser-OH; S0035; L-Serine, PharmaGrade, Ajinomoto, EP, USP, manufactured under appropriate GMP controls for Pharma or Biopharmaceutical production, suitable for cell culture; 2-Amino-3-hydroxypropanoic acid-, (S)-; b-Hydroxy-L-alanine; Propanoic acid, 2-amino-3-hydroxy-, (S); L-2-Amino-3-hydroxypropanoic Acid; BRN 1721404; EBD2198140; BC676679; Serinum; Serine (VAN); L-Serine;; NSC760115; (S)-(-)-Serine; AJ-24136; L-3-Hydroxy-2-aminopropionic acid; UNII-00PAR1C66F component MTCFGRXMJLQNBG-REOHCLBHSA-N; EINECS 200-274-3; TC-066532; L-Serine, from non-animal source, meets EP, USP testing specifications, suitable for cell culture, 98.5-101.0%; ZINC895034; TL806218; (L)-SERINE; 61748-67-2; L-Serine, Vetec(TM), 98.5%; L-Serine, PharmaGrade, Ajinomoto, EP, USP, JP, Manufactured under appropriate controls for use in pharma or biopharmaceutical production, suitable for cell culture; NCGC00015952-01; Serine (USP); beta-Hydroxyalanine; L-Serine, BioUltra, >=99.5% (NT); Racemic serine; L-Serin; (S)-beta-Amino-3-hydroxypropionate; L-(-)-Serine; NSC 118365; Pharmakon1600-01301010; BR-73019; AK-73019; AmbotzHAA1129; (-)-Serine; (S)-alpha-Amino-beta-hydroxypropionic acid; (2S)-2-amino-3-hydroxy-propanoic acid; CTK1G9788; GTPL726; 452VLY9402; DB00133; 88848-EP2289892A1; MFCD00064224; l-2-Amino-3-hydroxy-propanoic acid; (S)-(+)-2-Amino-3-hydroxypropionic acid; Tocris-0226; (2S)-2-AMINO-2-CARBOXY-1-HYDROXYETHYL; AKOS015854115; 154605-73-9; bmse000048; alpha-Amino-beta-hydroxypropionic acid; bmse000809; MolPort-003-939-270; ser; LS-144975; 88848-EP2305825A1; (S)-a-Amino-b-hydroxypropionic acid; serine; RP09655; DB-029983; RP18847; AC1L1LHF; L-Serine (JP17); L-Serine, Pharmaceutical Secondary Standard; Certified Reference Material; AC-1190; .beta.-Hydroxyalanine; KSC269O8R; KB-53386; BDBM50357212; RTC-066532; NCGC00024507-02; NSC-760115; Lopac-S-4250; D00016; Serina; Propanoic acid, 2-amino-3-hydroxy-, (S)-; NCGC00024507-01; (S)-2-Amino-3-hydroxypropanoic acid; Polyserine; L-Serine, United States Pharmacopeia (USP) Reference Standard; MCULE-5604658333; AM20100375; (S)-Serine; SC-09827; Tocris-0227; L-2-Amino-3-hydroxypropionic acid; bmse000885; AB1002443; UNII-452VLY9402; beta-Hydroxy-L-alanine; 064S224; Serina [Spanish]; L-Serine, Cell Culture Reagent; HSDB 680; Serine, L-; FT-0693445; Serine, European Pharmacopoeia (EP) Reference Standard; L-serine; 3h-l-serine; C00065; (S)-alpha-Amino-beta-hydroxypropionate; L-Serine, certified reference material, TraceCERT(R); Serine [USAN:INN]; 25821-52-7; .alpha.-Amino-.beta.-hydroxypropionic acid-, (S)-; 2-Amino-3-hydroxypropanoic acid, (S)-; F1905-7047; (S)-2-amino-3-hydroxy-Propanoate; (S)-beta-Amino-3-hydroxypropionic acid; L-Serine, ReagentPlus(R), >=99% (HPLC); (S)-2-Amino-3-hydroxypropionic acid; L-Serine, >=99.0% (NT); SR-01000597708; (S)-2-Amino-3-hydroxypropanoate; AN-24441; ST2408299; BP-13282; (S)-2-amino-3-hydroxy-Propanoic acid; CHEMBL11298; 3-hydroxy-L-Alanine; MTCFGRXMJLQNBG-REOHCLBHSA-N; L-Serine, tested according to Ph.Eur.; D0T6GM; PubChem10994; VC30786; Epitope ID:150900; L-3-Hydroxy-2-aminopropionate; L-3-Hydroxy-alanine; M-6047; FT-0627627; Z1270387256; SR-01000597708-1; 3AB40D3A-043A-488F-8361-D1BF309F842C; 4-04-00-03118 (Beilstein Handbook Reference); AB0008559; (S)-a-Amino-b-hydroxypropionate; SER (IUPAC abbrev); L-Alanine, 3-hydroxy-; L-ser; ACT08366; (S)-b-Amino-3-hydroxypropionate; (S)-b-Amino-3-hydroxypropionic acid; 2-Amino-3-hydroxypropionic acid; Poly-L-serine; ANW-32514; rac-serine;(S)-2-Amino-3-hydroxypropionic acid; 2-Amino-3-hydroxypropanoic acid; Serinum [Latin]; S4311_SIGMA; NCGC00024507-02; NSC 118365; Lopac-S-4250; D00016; (2S)-2-amino-3-hydroxypropanoic acid; (-)-Serine; (2S)-2-amino-3-hydroxy-propionic acid; Propanoic acid, 2-amino-3-hydroxy-, (S)-; (S)-alpha-Amino-beta-hydroxypropionic acid; 6898-95-9; (2S)-2-amino-3-hydroxy-propanoic acid; NCGC00024507-01; L-Serine, homopolymer; CHEBI:17115; (S)-2-Amino-3-hydroxypropanoic acid; Polyserine; Propanoic acid, 2-amino-3-hydroxy-, (S); L-3-Hydroxy-alanine; Tocris-0226; (S)-Serine; Tocris-0227; BRN 1721404; L-2-Amino-3-hydroxypropionic acid; beta-Hydroxy-L-alanine; Serina [Spanish]; Serine (VAN); 84959_FLUKA; alpha-Amino-beta-hydroxypropionic acid; HSDB 680; Serine, L-; C00065; 4-04-00-03118 (Beilstein Handbook Reference); L-3-Hydroxy-2-aminopropionic acid; EINECS 200-274-3; L-Serine (JAN); SER (IUPAC abbrev); Serine [USAN:INN]; 25821-52-7; 78682_FLUKA; 2-Amino-3-hydroxypropanoic acid, (S)-; L-Alanine, 3-hydroxy-; S1315_SIGMA; NCGC00015952-01; Serine (USP); Poly-L-serine; beta-Hydroxyalanine; S4500_SIGMA;L-Serin | C3H7NO3 | 105.09 g/mol | C(C(C(=O)O)N)O |
| TCMBANKIN057930 | D-Cystine | L-Dicysteine; CHEBI:16283; Cystine,d; C7602_SIGMA; Cystine D-form; C8755_SIGMA; Cystine, D-; 2-amino-3-(2-amino-2-carboxy-ethyl)disulfanyl-propanoic acid; Cystine (USAN); 56-89-3; (R,R)-3,3'-dithiobis(2-aminopropanoic acid); 3,3'-Dithiobis-L-alanine; Gelucystine; 349-46-2; L-Cystine (9CI); bis(beta-amino-beta-carboxyethyl) disulfide; L-alpha-Diamino-beta-dithiolactic acid; C5735_SIGMA; (2R)-2-amino-3-[(2R)-2-amino-3-hydroxy-3-oxopropyl]disulfanylpropanoic acid; D03636; EINECS 206-486-2; (2R)-2-amino-3-[(2R)-2-amino-3-hydroxy-3-oxo-propyl]disulfanyl-propanoic acid; 30199_FLUKA; Cystine, L- (8CI); (2R,2'R)-3,3'-disulfanediylbis(2-aminopropanoic acid); NCGC00166006-01; (R,R)-3,3'-Dithiobis(2-aminopropionicacid); C00491; (2R)-2-amino-3-[(2R)-2-amino-3-hydroxy-3-keto-propyl]disulfanyl-propionic acid;cystine | C6H12N2O4S2 | 240.3 | C(C(C(=O)O)N)SSCC(C(=O)O)N |
| TCMBANKIN057965 | arginine | L(+ )-arginine;EINECS 230-571-3; (2S)-2-amino-5-guanidino-pentanoic acid; EINECS 200-811-1; (S)-2-Amino-5-guanidinovaleric acid; DL-Arginine; (L)-Arginine; Arginine hydrochloride(USAN); 1-Amino-4-guanidovaleric acid; L-Ornithine, N5-(aminoiminomethyl)-; W381918_ALDRICH; (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; Arginine [USAN:INN]; S-(+)-2-Amino-5-[(aminoiminomethyl)amino]pentanoic acid; L-Arginine, labeled with tritium; AI3-24165; AIDS-121865; (S)-2-Amino-5-[(aminoiminomethyl)amino]pentanoic acid; NSC203450 (HYDROCHLORIDE); A5006_SIAL; (+-)-Arginine; L-Norvaline, 5-((aminoiminomethyl)amino)-; AIDS121865; Lopac0_000077; Tocris-0663; Arginine (VAN); 4455-52-1; CCRIS 3609; BRN 1725413; NCGC00015064-01; (2S)-2-amino-5-(carbamimidamido)pentanoic acid; (2S)-2-amino-5-guanidinopentanoic acid; D02982; Argininum [INN-Latin]; C00062; 7200-25-1; A8094_SIGMA; 11009_FLUKA; Poly(L-arginine); (2S)-2-amino-5-guanidino-valeric acid; Lopac-A-5006; NSC 206269; HSDB 1429; CHEBI:16467; L-Arginine, homopolymer; L-Arginine (9CI); Arginina [INN-Spanish]; 4-04-00-02648 (Beilstein Handbook Reference); (S)-2-amino-5-guanidinopentanoic acid; (S)-2-Amino-5-((aminoiminomethyl)amino)pentanoic acid; Arginine, L- (8CI); L-Arginine (JP15); EU-0100077; L-alpha-Amino-delta-guanidinovaleric acid; NSC7914 (HYDROCHLORIDE); Arginine (USP); 1119-34-2 (HYDROCHLORIDE); Pentanoic acid, 2-amino-5-((aminoiminomethyl)amino)-, (S)-; L-Arg; L-Norvaline, 5-[(aminoiminomethyl)amino]-; 142-49-4; A4474_SIAL; InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s; L-Arginin; Arginine, DL-; NCGC00024715-01;AC1ODX8E; [(4S)-5-amino-4-azaniumyl-5-oxopentyl]-(diaminomethylidene)azanium; [AMINO({[(4S)-4-AMMONIO-4-CARBAMOYLBUTYL]AMINO})METHYLIDENE]AZANIUM | C6H14N4O2 | 174.2 g/mol | C(CC(C(=O)O)N)CN=C(N)N |
| TCMBANKIN058114 | trans-caffeic acid | 3-(3,4-dihydroxy-phenyl)-acrylic acid; caffeic acid; Caffeate; Lopac-C-0625; 71693-97-5; DivK1c_006624; KBio2_007302; (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; NCGC00015206-02; CAS-3331-39-5; 60020_FLUKA; AI3-63211; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid polymer; (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; NSC623438; 4-(2'-Carboxyvinyl)-1,2-dihydroxybenzene; KBio2_004734; (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; CHEMBL1320034; AIDS-002287; AIDS002287; 501-16-6; CHEBI:36281; Prestwick1_000902; KBio1_001568; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid; AKOS000273846; OR1165; SMR000058214; Spectrum2_001612; 3,4-dihydroxycinnamate; (Z)-3-(3,4-dihydroxyphenyl)acrylic acid; Caffeicacid; KOP; AC1NO658; CCRIS 847; Caffeic acid dehydrogenation homopolymer; SPECTRUM1503987; Spectrum4_001694; SCHEMBL3682144; NCGC00017364-01; NCGC00022654-08; 4-(2-Carboxyethenyl)-1,2-dihydroxybenzene; 78734C5A-1281-44D4-B8A0-A3188AD437E3; cis-Caffeic acid; 3-(3,4-dihydroxyphenyl)acrylic acid; Cinnamic acid, 3,4-dihydroxy-; KBioGR_001988; 3,4-Dihydroxybenzeneacrylic acid; 3,4-dihydroxycinnamic acid; trans-caffeic acid; AIDS-026339; NCGC00015206-01; HSDB 7088; ZINC4482687; (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; 3-(3,4-dihydroxyphenyl)prop-2-enoate; Isocaffeic acid; SBB006475; InChI=1/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2; NCGC00017364-02; EU-0100208; C01197; MolPort-001-759-162; KBioSS_002166; Caffeic acid pure; caffeic acid ; trans-Caffeate; (2E)-3-(3,4-dihydroxyphenyl)acrylic acid; NSC 57197; (2E)-3-(3,4-Dihydroxyphenyl)-2-propenoic acid; Spectrum_001686; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (E)-; KBio2_002166; Caffeic acid, cis-; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-; 3,4-Dihydroxybenzeneacrylate; 3-(3,4-Dihydroxy phenyl)-2-propenoic acid; 4361-87-9; 3,4-Dihydroxy-trans-cinnamate; caffeicacid; AR-360/40806927; EINECS 206-361-2; 60018_FLUKA; Caffeic acid polymer; (E)-3-(3,4-dihydroxyphenyl)acrylic acid; NCGC00022654-04; ZX-AL002121; C0625_SIGMA; SDCCGMLS-0002982.P003; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid, homopolymer; SPBio_001643; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)- (9CI); NCGC00017364-03; 3-(3,4-dihydroxyphenyl)prop-2-enoic acid; AC1LU7RL; SPBio_002943; CHEBI:16433; AIDS026339; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, homopolymer; CHEBI:17395; TNP00311; SpecPlus_000528; Prestwick0_000902; MLS000069738; 3,4-dihydroxy-cinnamic acid; 3-(3,4-Dihydroxyphenyl)propenoic acid; NCI60_004400; NSC57197; Caffeic; Lopac-C-0625; NCGC00015206-01; Caffeic acid; cis-Caffeic acid; NCGC00017364-01; (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; C01481; 331-39-5; NCGC00015206-02; CAS-3331-39-5; 3,4-Dihydroxycinnamic acid; CHEBI:17395; (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; TNP00311; (Z)-3-(3,4-dihydroxyphenyl)acrylic acid; Caffeate; 1- coffee acid | C9H8O4 | 180.16 g/mol | C1=CC(=C(C=C1C=CC(=O)O)O)O |
| TCMBANKIN058213 | kaemferol;kampferol;kaempferol;campherol | TNP00039; nchembio.2007.28-comp30; Kaempherol; 5-18-05-00251 (Beilstein Handbook Reference); Prestwick2_001098; CHEBI:28499; Prestwick1_001098; CAS-520-18-3; BRN 0304401; Flavone, 3,4',5,7-tetrahydroxy-; ST030560; MEGxp0_001283; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol; C.I. 75640; Swartziol; K0133_SIGMA; kaempferol oxoanion; NCGC00016480-01; 60010_FLUKA; EINECS 208-287-6; Pelargidenon; Nimbecetin; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-chromenone; NSC 407289; 3,4',5,7-Tetrahydroxyflavone; HSCI1_000027; Pelargidenolon 1497; NSC407289; Robigenin; C05903; CPD1F-90; Kampferol; NSC 656277; Prestwick0_001098; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one; Populnetin; Kampcetin; Prestwick3_001098; AIDS-001404; ZINC00137345; kaempferol ; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-olate; 3,4′,5,7-Tetrahydroxyflavone; Rhamnolutein; NCGC00016480-02; ACon1_001867; NSC656277; 3,4′,5,7-Tetrahydroxyflavone; BSPBio_001176; SPBio_003058; Oprea1_650954; 5,7,4'-Trihydroxyflavonol; 4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)- (9CI); Campherol; 520-18-3; 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE; S00111; Trifolitin; Kampherol; AI3-36096; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromone; Indigo yellow; Pelargidenolon; AIDS001404; nchembio718-comp14; NCGC00091036-01; Flavone, 3,4',5,7-tetrahydroxy- (7CI,8CI); CHEBI:58573; Kaemferol; Kempferol; BPBio1_001294; 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; Rhamnolutin; 3,5,7-triOH-Flavone; KMP; CCRIS 41; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)- | C15H10O6 | 286.24 g/mol | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
| TCMBANKIN058241 | tyrosin;DTY | Benzenepropanoic acid, alpha-amino-4-hydroxy-, (S)-; HSDB 2003; AIDS192306; L-Phenylalanine-4-hydroxy-; EINECS 200-460-4; 4-Hydroxy-L-phenylalanine; Tyrosine (VAN); alpha-Amino-4-hydroxybenzenepropanoic acid, (S)-; AI3-09055; beta-(p-Hydroxyphenyl)alanine; nchembio816-comp11; AIDS192301; AIDS192308; (S)-2-Amino-3-(p-hydroxyphenyl)propionic acid; CHEBI:17895; AIDS-192301; TYR NH3+ COOH; Melanin synthesized from Tyr substrate catalyzed by tyrosinase, sulfonated using sulfur trioxide/DMF complex for 1.5-7 hours; (S)-2-Amino-3-(4-hydroxyphenyl)propionic acid; Tyrosinum [Latin]; (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid; AIDS-192307; 25619-78-7; L-Tyrosine (9CI); 1991-85-1; L-Tyrosine, homopolymer; AIDS018692; (S)-alpha-Amino-4-hydroxybenzenepropanoic acid; L-Tyrosin; 55520-40-6; Tirosina [Spanish]; (-)-alpha-Amino-p-hydroxyhydrocinnamic acid; alpha-Amino-beta-(4-hydroxyphenyl)propionic acid; BB_NC-1194; D00022; C00082; Tyrosine, L- (8CI); Melanin synthesized from Tyr substrate catalyzed by tyrosinase for 6 hrs, oxidized with hydrogen peroxide, <3 kd fraction; Tyrosine [USAN:INN]; T3754_SIAL; 140-43-2; NCGC00159350-03; T8566_SIGMA; AIDS-192305; AIDS-018692; 2-Amino-3-(4-hydroxyphenyl)propanoic acid, (S)-; AIDS-192308; AIDS-192306; 2-Amino-3-(4-hydroxyphenyl)propanoic acid-(S)-; 93829_FLUKA; alpha-Amino-p-hydroxyhydrocinnamic acid, (-)-; (S)-Tyrosine; T4321_SIAL; L-Tyrosine, monomer; L-Tyrosine (JAN); Propanoic acid, 2-amino-3-(4-hydroxyphenyl)-(S)-; NCGC00159350-02; AIDS192305; W373605_ALDRICH; 46209-14-7; Melanin synthesized from Tyr substrate catalyzed by tyrosinase for 6 hrs, oxidized with hydrogen peroxide; Tyrosine (USP/INN); FEMA No. 3736; Melanin synthesized from Tyr substrate catalyzed by tyrosinase for 6 hrs; NSC 82624; Melanin synthesized from Tyr substrate catalyzed by tyrosinase, brominated with N-bromosuccinimide; AIDS192307; (S)-3-(p-Hydroxyphenyl)alanine | C9H11NO3 | 181.19 g/mol | C1=CC(=CC=C1CC(C(=O)O)N)O |
| TCMBANKIN058272 | esculetin | AIDS-014709; CCG-38509; Cichoriin aglycon; KBioSS_001646; KUC108669N; NSC-26428; ZINC00057908; SM2XD6V944; HMS1570L22; ILEDWLMCKZNDJK-UHFFFAOYSA-N; NSC26428; Esculetol; ZX-AN021876; BPBio1_000968; MolPort-000-709-311; 6,7-Dihydroxycoumarin, 8CI; FCH1117729; ST24044991; 6,7-dihydroxy-2-chromenone; Coumarin, 6,7-dihydroxy-; NCGC00094873-01; KBio1_001374; NCGC00016425-01; Prestwick1_000940; AS-11863; LS-55161; CHEBI:490095; 2H-1-BENZOPYRAN-2-ONE,6,7-DIHYDROXY; RTR-013104; KSC-11-243-1; 7H-1-Benzopyran-7-one, 2,6-dihydroxy-; Esculetol); W-2566; DTXSID3075383; KS-0000017Z; 2,6-Dihydroxy-7H-chromen-7-one; NCGC00016425-04; Cichoriin aglucon; Spectrum5_000512; CD-051; ZX-AFC000486; BG01504928; KSC148K7L; SR-01000721907-2; HMS1921M14; ACM305356; E0386; Aesculetin (cichorigenin; NSC 26428; Aesculetin; s4711; EBD2197580; NCGC00016425-05; NCGC00094873-02; AK591206; AN-44203; BRN 0152788; 6,7-dihydroxy-2H-chromen-2-one; Esculatin; KBio2_006782; AB00489955; GTPL5180; SCHEMBL24641; 6,7-Dihydroxycoumarin; ACMC-20luwt; SR-01000721907; Esculin aglycon; SPECTRUM1500899; MFCD00006874; Cichorigenin; BIB6051; UNII-SM2XD6V944; I14-1622; BDBM34571; ST5306833; CHEMBL244743; TR-013104; MLS000069479; CAS-305-01-1; 6,7-Dihydroxy-2-chromenone; SMR000059055; C09263; 6,7-dihydroxychromen-2-one; esculetin ; HMS3373K09; DivK1c_006430; 3.05E+13; E-3401; HMS2233G24; InChI=1/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11; SpecPlus_000334; Spectrum4_001886; MCULE-4460039316; Esculetin; AC1NQYFH; Prestwick2_000940; A820407; Prestwick3_000940; Oprea1_719746; 6,7-bis(oxidanyl)chromen-2-one; Asculetine; ST079379; KBioGR_002416; AIDS014709; AC-18400; AKOS030559695; 91753-33-2; CJ-00486; KBio3_001584; FT-0620854; SMP2_000093; 305-01-1; AB0010898; 5-18-03-00202 (Beilstein Handbook Reference); CE0046; KBio2_001646; BSPBio_000880; Spectrum2_000586; 6,7-Dihydroxy-2H-1-benzopyran-2-one; SC-45867; DB-014626; CC-22332; BSPBio_002364; CTK3G3670; SDCCGMLS-0066669.P001; ALBB-023362; SPBio_000432; AC1Q7980; 6,7-Dihydroxy-2-benzopyrone; Prestwick0_000940; AJ-09788; C-06350; NCGC00016425-03; AK114506; 6,7-Dihydroxycoumarin, 98%; ZINC57908; EINECS 206-161-5; cid_5281416; BRD-K58149231-001-06-9; 2H-1-Benzopyran-2-one, 6,7-dihydroxy-; bmse000986; 4CN-0872; 6,7-dihydroxy-1-benzopyran-2-one; BN0888; HMS2097L22; Bio-0588; SPBio_003049; C9H6O4; E-3400; KBio2_004214; Spectrum_001166; Esculetin, analytical standard; 2H-1-Benzopyran-2-one, 6,7-dihydroxy- (9CI); N1764; 6,7-DIHYDROXYCOUMARIN; Coumarin, 6,7-dihydroxy- Esculetin; J10146; Esculetin, European Pharmacopoeia (EP) Reference Standard; 246573_ALDRICH; ZB002263; Esculin aglucon; 6,7-dihydroxy-coumarin; KB-50565; NCI60_002119; ANW-43483; 6,7-Dihydroxy-2H-chromen-2-one; D0YZ5G; NCGC00016425-06; Jsp005751; AX8020100; AKOS000276955; NCGC00016425-02; CCRIS 7065; 6,7-Dihydroxy-2H-chromen-2-one #; Spectrum3_000752; 6, 7-dihydroxycoumarin; aesculetin; 6,7-dihydroxycoumarin; 6,7-dihydroxy coumarin; CCG-38509; Cichoriin aglycon; KBioSS_001646; KUC108669N; NSC-26428; SM2XD6V944; HMS1570L22; ILEDWLMCKZNDJK-UHFFFAOYSA-N; NSC26428; Esculetol; ZX-AN021876; BPBio1_000968; MolPort-000-709-311; 6,7-Dihydroxycoumarin, 8CI; FCH1117729; ST24044991; Coumarin, 6,7-dihydroxy-; NCGC00094873-01; KBio1_001374; NCGC00016425-01; Prestwick1_000940; AS-11863; LS-55161; CHEBI:490095; 2H-1-BENZOPYRAN-2-ONE,6,7-DIHYDROXY; RTR-013104; KSC-11-243-1; 7H-1-Benzopyran-7-one, 2,6-dihydroxy-; Esculetol); W-2566; DTXSID3075383; KS-0000017Z; 2,6-Dihydroxy-7H-chromen-7-one; NCGC00016425-04; Cichoriin aglucon; Spectrum5_000512; CD-051; ZX-AFC000486; BG01504928; KSC148K7L; SR-01000721907-2; HMS1921M14; ACM305356; E0386; Aesculetin (cichorigenin; NSC 26428; Aesculetin; s4711; EBD2197580; NCGC00016425-05; NCGC00094873-02; AK591206; AN-44203; BRN 0152788; Esculatin; KBio2_006782; AB00489955; GTPL5180; SCHEMBL24641; ACMC-20luwt; SR-01000721907; Esculin aglycon; SPECTRUM1500899; MFCD00006874; Cichorigenin; BIB6051; UNII-SM2XD6V944; I14-1622; BDBM34571; CHEMBL244743; TR-013104; MLS000069479; CAS-305-01-1; 6,7-Dihydroxy-2-chromenone; SMR000059055; C09263; 6,7-dihydroxychromen-2-one; HMS3373K09; DivK1c_006430; 3.05E+13; E-3401; HMS2233G24; InChI=1/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11; SpecPlus_000334; Spectrum4_001886; MCULE-4460039316; Esculetin; AC1NQYFH; Prestwick2_000940; A820407; Prestwick3_000940; Oprea1_719746; 6,7-bis(oxidanyl)chromen-2-one; Asculetine; ST079379; KBioGR_002416; AC-18400; AKOS030559695; 91753-33-2; CJ-00486; KBio3_001584; FT-0620854; SMP2_000093; 305-01-1; AB0010898; 5-18-03-00202 (Beilstein Handbook Reference); CE0046; KBio2_001646; BSPBio_000880; Spectrum2_000586; 6,7-Dihydroxy-2H-1-benzopyran-2-one; SC-45867; DB-014626; CC-22332; BSPBio_002364; CTK3G3670; SDCCGMLS-0066669.P001; ALBB-023362; SPBio_000432; AC1Q7980; 6,7-Dihydroxy-2-benzopyrone; Prestwick0_000940; AJ-09788; C-06350; NCGC00016425-03; AK114506; 6,7-Dihydroxycoumarin, 98%; ZINC57908; EINECS 206-161-5; cid_5281416; BRD-K58149231-001-06-9; 2H-1-Benzopyran-2-one, 6,7-dihydroxy-; bmse000986; 4CN-0872; 6,7-dihydroxy-1-benzopyran-2-one; BN0888; HMS2097L22; Bio-0588; SPBio_003049; C9H6O4; E-3400; KBio2_004214; Spectrum_001166; Esculetin, analytical standard; 2H-1-Benzopyran-2-one, 6,7-dihydroxy- (9CI); N1764; 6,7-DIHYDROXYCOUMARIN; Coumarin, 6,7-dihydroxy- Esculetin; J10146; Esculetin, European Pharmacopoeia (EP) Reference Standard; ZB002263; Esculin aglucon; 6,7-dihydroxy-coumarin; KB-50565; NCI60_002119; ANW-43483; 6,7-Dihydroxy-2H-chromen-2-one; D0YZ5G; NCGC00016425-06; Jsp005751; AX8020100; AKOS000276955; NCGC00016425-02; CCRIS 7065; 6,7-Dihydroxy-2H-chromen-2-one #; Spectrum3_000752 | C9H6O4 | 178.14 g/mol | C1=CC(=O)OC2=CC(=C(C=C21)O)O |
| TCMBANKIN058314 | benzaldehyde | SCHEMBL896024; A804633;Benzoic aldehyde;WLN: VHR;InChI=1/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6; CHEBI:17169; Benzene methylal; B1334_ALDRICH; Ald3-H_000012; Benzenecarbonal; Benzaldehyde (natural); NCGC00091819-01; AI3-09931; EINECS 202-860-4; Oil of Bitter Almond; ST5213372; Artificial essential oil of almond; nchembio814-comp15; LS-27; EPA Pesticide Chemical Code 008601; BENZALDEHYDE; W212709_ALDRICH; Ald3.1-H_000160; D02314; Benzenemethylal; NCI-C56133; HSDB 388; 12010_FLUKA; Ald3.1-H_000479; Benzaldehyde FFC; W212717_ALDRICH; Benzene carbaldehyde; CCRIS 2376; 100-52-7; Benzaldehyde [UN1990] [Class 9]; Caswell No. 076; Benzenecarboxaldehyde; Benzoyl hydride; Ald3.1-H_000798; Benzaldehyde (NF); Artificial Almond Oil; Benzaldehyde [USAN]; Artificial Bitter Almond Oil; 09143_FLUKA; C00261; Synthetic oil of bitter almond; FEMA No. 2127; ghl.PD_Mitscher_leg0.170; c0279; 418099_ALDRICH; Benzoic aldehyde; Benzene carboxaldehyde; benzanoaldehyde; Bitter almond oil, synthetic; UN1990; NSC7917; Almond Artificial Essential Oil; NSC 7917; Benzadehyde; Phenylmethanal | C7H6O | 106.12 | C1=CC=C(C=C1)C=O |
| TCMBANKIN058334 | benzene acetaldehyde | benzeneacetaldehyde; HY1; c0210; alpha-Tolyaldehyde; 1-Oxo-2-phenylethane; 107395_ALDRICH; Acetaldehyde,phenyl- (8CI); ZINC00895323; Phenylacetic aldehyde; alpha-Tolualdehyde; NSC406309; alpha-Toluic aldehyde; 2-phenylacetaldehyde; NSC 406309; CHEBI:16424; FEMA No. 2974; 122-78-1; Phenylacetaldehyde solution; .alpha.-Tolualdehyde; W287407_ALDRICH; PHENYLACETALDEHYDE; W287415_ALDRICH; Benzylcarboxaldehyde; .alpha.-Toluic aldehyde; hyacinthin; Acetaldehyde,phenyl-; Phenylethanal; InChI=1/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H; NCIOpen2_003602; AI3-02175; 77800_FLUKA; Phenylacetaldehyde (natural); 2-Phenylethanal; Oxophenylethane; Benzeneacetaldehyde; EINECS 204-574-5; C00601; phenylacetaldehyde; Hyacinthin | C8H8O | 120.15 g/mol | C1=CC=C(C=C1)CC=O |
| TCMBANKIN058355 | Aromatic alcohol | NSC 8044; Aromatic primary alcohol; HSDB 46; alpha-hydroxytoluene; benzyl alcohol; AIDS009274; AIDS-009274; CCRIS 2081; Alcohol bencilico [INN-Spanish]; (Hydroxymethyl)benzene; W213705_ALDRICH; AI3-01680; FEMA No. 2137; 4-06-00-02222 (Beilstein Handbook Reference); Hydroxytoluene; benzenemethanol; Benzyl alcohol (JP15/NF/INN); 24122_RIEDEL; 442481_SUPELCO; Phenolcarbinol; NCGC00091865-01; InChI=1/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H; Euxyl K 100; .alpha.-Toluenol; BENZYL-ALCOHOL; Caswell No. 081F; BRN 0878307; Benzoyl alcohol; C00556; Benzal alcohol; 402834_SIAL; 100-51-6; 1336-27-2; LS-307; Phenylcarbinolum; Methanol, phenyl-; 305197_ALDRICH; NSC8044; c0278; Benzyl alcohol (natural); 185532-71-2; Benzenecarbinol; hydroxymethylbenzene; C03485; Alcool benzilico [DCIT]; NCI-C06111; TOLUENE,ALPHA-HYDROXY; 108006_ALDRICH; Benzylalkohol; alpha-Toluenol; 13160_FLUKA; Benzyl alcohol [USAN:INN:JAN]; EINECS 202-859-9; CHEBI:17987; Alcoholum benzylicum [INN-Latin]; EPA Pesticide Chemical Code 009502; phenylcarbinol; 34460_RIEDEL; .alpha.-Hydroxytoluene; Benzylicum; D00077; W213713_ALDRICH; alcoholum benzylicum; benzylalcohol; phenylmethanol; Phenylmethyl alcohol; benzylic alcohol; Alcool benzylique; Alcool benzylique [INN-French];benzyl alcohol;WLN: Q1R | C7H8O | 108.14 g/mol | C1=CC=C(C=C1)CO |
| TCMBANKIN058364 | IPH | NCI-C50124; Phenol, liquid; Baker's P and S Liquid and Ointment; 48556_SUPELCO; Un 2812 (solution); Carbolic oil; 16018_RIEDEL; P4557_SIAL; AI3-01814; 52463_FLUKA; UN2821; Phenol, sulfurated; NSC 36808; (14C)Phenol; Phenic; 242322_SIAL; Fenolo; Phenol, chloro derivs.; 185450_SIAL; Paoscle (TN); P4682_SIAL; Fenosmoline; Phenole [German]; Phenole; PhOH; 328111_SIAL; 77614_FLUKA; acide phenique; UN2312; ST5214353; Carbolic acid, liquid; Phenol [JAN]; Liquid phenol; LS-476; P3653_SIAL; Phenol, solid [UN1671] [Poison]; NCGC00091454-03; RCRA waste number U188; WLN: QR; W322318_ALDRICH; Phenol (liquid); Phenol (or solutions with 5% or more phenol); Caswell No. 649; 16016_RIEDEL; Baker's p and s; Phenol, synthetic; Fenolo [Italian]; Phenol, pure; Phenol solution; HSDB 113; Phenyl alcohol; Oxybenzene; Izal; C15584; FEMA No. 3223; phenylalcohol; AIDS-000352; NSC36808; Phenol (TN); Phenol alcohol; 40063_SUPELCO; Phenol-UL-14C; UN 1671 (solid); 16017_RIEDEL; 33517_RIEDEL; InChI=1/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7; Acide carbolique [French]; carbolic acid; Synthetic phenol; Phenyl hydroxide; Fenol [Dutch, Polish]; RCRA waste no. U188; NCGC00091454-01; P1037_SIAL; UN1671; 46344_RIEDEL; 35952_RIEDEL; Fenol; ZINC00895069; Phenol, labeled with carbon-14; Fenosmolin; Baker's P & S liquid & Ointment; Monophenol; Phenylic alcohol; 564796_ALDRICH; Monohydroxybenzene; Phenol solutions [UN2821] [Poison]; 77607_FLUKA; Phenol, molten [UN2312] [Poison]; 297437_SIGMA; P9346_SIAL; CHEBI:15882; c0128; Carbolsaure [German]; EINECS 203-632-7; Phenol (JP15/USP); Phenyl hydrate; Phenol, polymer-bound; UN 2312 (molten); D00033; EPA Pesticide Chemical Code 064001; EINECS 262-972-4; 48688_SUPELCO; Phenol, liquefied; Phenol, chlorinated; Benzene, hydroxy-; CCRIS 504; Karbolsaeure; Paoscle; Liquified Phenol; Acide carbolique; Monohydroxy benzene; P5566_SIAL; NCGC00091454-02;phenylic alcohol;NCI-C50124; 582-EP2308872A1; UN 2312; 582-EP2284148A1; 582-EP2308875A1; 582-EP2275404A1; 582-EP2292597A1; Phenol, liquid; 582-EP2315502A1; AC1Q791G; 582-EP2305689A1; NCGC00259188-01; 582-EP2295426A1; Campho-Phenique Liquid; 582-EP2380872A1; 582-EP2311464A1; 582-EP2316937A1; 3f39; 78049-EP2277868A1; Carbolsaeure; 582-EP2284157A1; J-610001; Carbolsaure; UN2821; 582-EP2305698A2; 582-EP2279750A1; 582-EP2308861A1; AJ-53232; 108-95-2; 582-EP2275395A2; MFCD00002143; 582-EP2275105A1; Phenole [German]; Phenole; AC1L1AHZ; 582-EP2286812A1; 582-EP2308877A1; Phenol, detached crystals, 99% 100g; acide phenique; 582-EP2287166A2; P1610; 582-EP2301538A1; 582-EP2301919A1; 582-EP2316470A2; Hydroxybenzene; Tox21_113463_1; 61788-41-8; 582-EP2316974A1; 14534-23-7; NCGC00091454-03; WLN: QR; Phenol, SAJ first grade, >=98.0%; 582-EP2277879A1; Phenol (or solutions with 5% or more phenol); benzenod; 582-EP2277881A1; Baker's p and s; RL00383; Phenol, pure; 582-EP2301924A1; PHENOL- D6; HSDB 113; Hydroxy-benzene; Izal; Phenol, unstabilized, purified by redistillation, >=99%; C15584; Phenol, puriss., meets analytical specification of Ph. Eur., BP, USP, >=99.5% (GC), crystalline (detached); NCGC00091454-04; 582-EP2280021A1; UN 1671 (solid); C6H6O; InChI=1/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7; 582-EP2298758A1; 582-EP2272817A1; 582-EP2308848A1; Phenol solution, BioReagent, Saturated with 0.1 M citrate buffer, pH??4.3 +/- 0.2, for molecular biology; Phenol [USP:JAN]; 582-EP2289879A1; H2391; 582-EP2305649A1; 582-EP2308873A1; Phenol, LR, >=99%; AK113559; 582-EP2298753A1; NCGC00091454-07; RCRA waste no. U188; Phenol, ultrapure; 582-EP2311811A1; SMR000568492; Fenosmolin; 582-EP2302015A1; Phenylic alcohol; 78049-EP2277870A1; Pandy's reagent; 582-EP2280004A1; 582-EP2301926A1; Liquefied phenol BP; Carbolsaure [German]; EINECS 203-632-7; 8002/7/1; 582-EP2272849A1; Phenol, BioXtra, >=99.5% (GC); ISWSIDIOOBJBQZ-UHFFFAOYSA-N; 582-EP2301935A1; 582-EP2308880A1; FT-0645154; Paoscle; Phenol molten; 50356-25-7; 582-EP2295424A1; AB1002201; Benzenol; BDBM26187; Phenol, >=99%; 582-EP2311814A1; Fenol(DUTCH, POLISH); 582-EP2280003A2; 582-EP2311494A1; 1li2; 582-EP2316832A1; 1ai7; Un 2812 (solution); Carbolic oil; 582-EP2298759A1; AI3-01814; Phenol, sulfurated; 582-EP2298778A1; (14C)Phenol; 582-EP2301929A1; Phenol, PESTANAL(R), analytical standard; 582-EP2295434A2; BIDD:ER0293; NCGC00254019-01; I01-9247; 582-EP2275411A2; 582-EP2308838A1; Paoscle (TN); 582-EP2284147A2; EC 203-632-7; Fenosmoline; hydroxybenzend; PhOH; 582-EP2272813A2; 582-EP2305687A1; Phenol, detached crystals; Phenol, AR, >=99.5%; MolPort-000-871-946; Tox21_113463; PHENOL, 80% in ethanol; 582-EP2272822A1; DSSTox_RID_75955; Phenol solution, 100 mug/mL in acetonitrile, PESTANAL(R), analytical standard; Carbolic acid, liquid; Liquid phenol; 582-EP2277570A2; Phenol, >25% in a non hazardous diluent; Phenol (liquid); Phenol, for molecular biology; Caswell No. 649; 582-EP2277568A2; Phenol, synthetic; Fenolo [Italian]; 582-EP2305674A1; 4-hydroxybenzyl group; 582-EP2295429A1; 582-EP2287162A1; 78049-EP2272846A1; Phenol, p.a., ACS reagent, 99.5-100.5%; FEMA No. 3223; Phenol (TN); Phenol (JP17/USP); DTXSID5021124; 582-EP2287161A1; 582-EP2305673A1; 582-EP2295399A2; 139-02-6 (hydrochloride salt); 582-EP2305664A1; 582-EP2371811A2; 582-EP2374784A1; 582-EP2277569A2; 582-EP2305695A2; BP-30160; 582-EP2308510A1; KB-59534; 582-EP2298744A2; Phenol, natural, 97%, FG; 582-EP2295437A1; carbolic acid; 582-EP2280010A2; 582-EP2284160A1; 582-EP2287165A2; Fenol [Dutch, Polish]; UN1671; 582-EP2371807A1; Phenol, labeled with carbon-14; Phenol, United States Pharmacopeia (USP) Reference Standard; UN 2821; Liquefied phenol; Monohydroxybenzene; bmse000290; 582-EP2289892A1; 582-EP2311822A1; Cepastat lozenges; Phenol solutions; 78049-EP2292608A1; 582-EP2305625A1; 582-EP2305684A1; Phenol, polymer-bound; 582-EP2301983A1; Phenyl hydrate; UN 2312 (molten); 582-EP2280020A1; 582-EP2308878A2; Phenol, BP grade 80% aqueous solution; MCULE-9943948107; EINECS 262-972-4; KS-00000VIO; DB03255; UNII-339NCG44TV; 582-EP2311831A1; Phenol, molten [UN2312] [Poison]; Monohydroxy benzene; NCGC00091454-02; 582-EP2316833A1; LS-105199; Phenol solution, 5000 mug/mL in methanol, certified reference material; 582-EP2277567A1; Cuticura pain relieving ointment; 582-EP2277867A2; 582-EP2298742A1; 582-EP2316824A1; 582-EP2314579A1; 582-EP2305243A1; Baker's P and S Liquid and Ointment; 582-EP2372017A1; 582-EP2316829A1; F1908-0106; AN-22534; 582-EP2305627A1; ACMC-1CE2K; 582-EP2280006A1; NSC 36808; 582-EP2284169A1; Fenolo; PHENOL, ACS; 78049-EP2371806A1; DSSTox_GSID_21124; 582-EP2295428A2; 582-EP2289883A1; Liquefied phenol (TN); UN 1671; 582-EP2284146A2; 582-EP2301937A1; 582-EP2305633A1; Phenol synthetic; Phenol [JAN]; Phenolated water for disinfection; MLS001065591; Phenol solutions [UN2821] [Poison]; NSC-36808; Phenol homopolymer; Phenol, solid [UN1671] [Poison]; DSSTox_CID_1124; 582-EP2269997A2; 582-EP2311455A1; NCGC00091454-05; 582-EP2308840A1; Phenol stock solution, 100 mg/dL, standard; C00146; PHENOL REAGENT; 582-EP2301536A1; 582-EP2272972A1; 582-EP2305808A1; Phenyl alcohol; 582-EP2316836A1; 582-EP2371806A1; 582-EP2281819A1; 78049-EP2371807A1; Phenol, polymer-bound, 100-200 mesh, extent of labeling: 0.5-1.5 mmol/g loading, 1 % cross-linked with divinylbenzene; 582-EP2305648A1; 582-EP2305640A2; 582-EP2314571A2; Phenol, >=96.0% (calc. on dry substance, T); Phenol, BioUltra, for molecular biology, >=99.5% (GC); I14-62966; NA 2821; SC-26791; Phenol,industrial; Phenol for disinfection (JP17); 582-EP2374785A1; 582-EP2277872A1; Phenol polymer-bound; CS0062; 582-EP2281817A1; AKOS000119025; 582-EP2305679A1; 582-EP2275420A1; 582-EP2275403A1; 582-EP2311834A1; NCGC00091454-01; Fenol; Tox21_300042; Baker's P & S liquid & Ointment; bmse010026; Liquified Phenol, meets USP testing specifications, >=89.0%; Campho-Phenique Cold Sore Gel; CAS-108-95-2; CRISTALESDEFENOL; 582-EP2284165A1; 582-EP2314576A1; Carbolic acid liquid; 582-EP2308865A1; TEA polyphenol; 582-EP2270003A1; 582-EP2270101A1; 78049-EP2308866A1; C6H5OH; ANW-15995; D00033; 63496-48-0; AM802906; Phenosmolin; Liquefied phenol (JP17); 582-EP2311829A1; Phenol, ACS reagent; Benzene, hydroxy-; CCRIS 504; Phenol, 90% aqueous solution; Hydroxybenzene solution; 582-EP2280012A2; Acide carbolique; CTK0H5673; 582-EP2269975A2; 582-EP2277566A2; 582-EP2298776A1; 78049-EP2277869A1; Phenic alcohol; p-Hydroxy polystyrene (100-200 mesh, 0.5-1.5 mmol/g); 582-EP2295438A1; NCGC00091454-06; Phenol, solid; 582-EP2295427A1; Phenol, contains hypophosphorous as stabilizer, loose crystals, ACS reagent, >=99.0%; 582-EP2305033A1; 582-EP2275415A2; 582-EP2311808A1; 582-EP2272973A1; Phenol, JIS special grade, >=99.0%; Phenol, >=99.0%; 52009-05-9; 582-EP2314295A1; Phenic; 582-EP2298750A1; PHENOL, ULTRA PURE; 582-EP2298734A2; phenol; 582-EP2287167A1; 582-EP2284178A2; Tox21_201639; 582-EP2272935A1; 27073-41-2; 582-EP2270113A1; 582-EP2305697A2; Phenol, molten; UN2312; LS-476; 582-EP2289509A2; Phenol, puriss. p.a., ACS reagent, reag. Ph. Eur., 99.0-100.5%; IPH; PHENOL REAGE NT; 78049-EP2287158A1; Phenol solution; Oxybenzene; Phenol for disinfection (TN); 582-EP2298775A1; Campho-Phenique Gel; phenylalcohol; Phenol liquid; NSC36808; 582-EP2377842A1; Phenol alcohol; Phenol 10 microg/mL in Methanol; 4i7l; RTR-002010; hydroxy benzene; Phenol, BioUltra, for molecular biology, TE-saturated, ~73% (T); Carbolicum acidum; 582-EP2292280A1; Phenol, unstabilized, ReagentPlus(R), >=99%; 56322-06-6; 582-EP2314588A1; Acide carbolique [French]; 582-EP2274983A1; Synthetic phenol; 582-EP2289891A2; Phenyl hydroxide; Phenic acid; phenylic acid, phenyl hydroxide; MFCD03703209; 582-EP2277565A2; 2-hydroxybenzoyl group; LTBB002354; 582-EP2287158A1; Monophenol; Phenol 100 microg/mL in Methanol; 582-EP2269977A2; 582-EP2289965A1; 582-EP2286811A1; Phenol solutions [UN2821] [Poison]; 582-EP2292620A2; 582-EP2316831A1; Phenol, molten [UN2312] [Poison]; 582-EP2305696A2; 73607-76-8; ZINC5133329; 582-EP2280001A1; 582-EP2295411A1; CHEBI:15882; Phenol solution, certified reference material, 500 mug/mL in methanol; 582-EP2289896A1; 582-EP2308471A1; 339NCG44TV; 582-EP2305668A1; phenyloxidanyl; Rcra waste number U188; EPA Pesticide Chemical Code 064001; Phenol, solid [UN1671] [Poison]; 582-EP2305662A1; CHEMBL14060; 582-EP2316452A1; 97694-EP2305662A1; Phenol, liquefied; 582-EP2311824A1; Phenylic acid; Karbolsaeure; 582-EP2289868A1; Phenol, puriss., meets analytical specification of Ph. Eur., BP, USP, 99.5-100.5% (GC); Liquified Phenol; Phenol, for molecular biology, ~90% (T), liquid; Phenolated water; 582-EP2305685A1; 582-EP2292608A1; Phenol solution, BioReagent, Equilibrated with 10??mM Tris HCl, pH??8.0, 1??mM EDTA, for molecular biology;4-[5-phenyl-4,5-dihydro-3-isoxazolyl)-2-methylphenol; 2-methyl-4-(5-phenyl-4,5-dihydroisoxazol-3-yl)phenol;phenylic acid;phenol;hydroxybenzene | C6H6O | 94.11 g/mol | C1=CC=C(C=C1)O |
| TCMBANKIN058412 | benzene | RNG;J3.623.754F; A837177; (3S)-3'-Hydroxy-8-methoxyvestitol; 3-methoxy-6-[(3S)-8-methoxy-7-oxidanyl-3,4-dihydro-2H-chromen-3-yl]benzene-1,2-diol; 3-[(3S)-7-hydroxy-8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]-6-methoxybenzene-1,2-diol | C6H6 | 78.11 g/mol | C1=CC=CC=C1 |
| TCMBANKIN058440 | 2-furancarboxaldehyde | 2-Furfuraldehyde; NCGC00091328-01; Furale; Caswell No. 466; CCRIS 1044; Nci-C56177; Fural; NSC8841; Furaldehydes [UN1199] [Poison]; LS-28; AI3-04466; EPA Pesticide Chemical Code 043301; 2-Furylcarboxaldehyde; 2-Furil-metanale [Italian]; NSC 8841; Furol; Furfural; 2-furfural; 2- Furfuraldehyde; furaldehyde; 48070_FLUKA; 2-Furylaldehyde xypropane; F1294-0048; 39276-09-0; Furfural (2-Furfurol, 2-Furaldehyde); Furfural, natural, >=98%, FCC, FG; Furfural, ACS reagent, 99%; FEMA No. 2968; CTK1B4104; Tox21_111114; Rcra waste number U125; 2-Furylcarboxaldehyde; KSC214C0J; 2-Furylaldehyde; 72277-EP2308870A2; ST50213385; EC 202-627-7; 2-furancarbaldehyde; QSPL 102; AKOS000118907; I14-0911; alpha-Furole; FURFURAL; AC1L1OL7; 2-Furil-metanale; BRN 0105755; furan-2-carboxaldehydl; Artificial ant oil; Fuf ural; BIDD:ER0698; F0073; QSPL 006; 2-Furancarbonal; 2-Furfural; WOOD VINEGAR; 2-Furaldehyde; Furfuraldehyde; 2-Furankarbaldehyd [Czech]; Furfurol; I14-22069; RL06103; 72277-EP2308867A2; CCRIS 1044; Fural; furfuraldehydl; Tox21_300170; EPA Pesticide Chemical Code 067206; KB-24259; Furaldehydes [UN1199] [Poison]; HYBBIBNJHNGZAN-UHFFFAOYSA-N; FEMA No. 2967; 2-Furil-metanale [Italian]; SC-18048; Furaldehydes; WLN: T5OJ BVH; ACMC-20978u; Furyl-methanal; 5-17-09-00292 (Beilstein Handbook Reference); Furfurylaldehyde; ZINC3861345; Furfurole; Furfurale [Italian]; UNII-N4G9GAT76C component HYBBIBNJHNGZAN-UHFFFAOYSA-N; Furaldehydes [UN1199] [Poison]; Tox21_202191; TRA0077688; 2-Furyl-methanal; CAS-98-01-1; Furfural (natural); 2-furaldehydl; EBD294; Caswell No. 904; 2-Furankarbaldehyd; 2-Furanaldehyde; FEMA No. 2489; BP-31002; Pyroligneous acids; CHEMBL189362; Artificial oil of ants; NCGC00253954-01; 2-Formylfuran; DSSTox_GSID_20647; DB-003668; Furol; NCGC00259740-01; LS-162370; 2-furan-carboxaldehyde; alpha-Furfuraldehyde; Caswell No. 466; NCGC00091328-04; Nci-C56177; Furfural, 99%; 2-FURANCARBOXALDEHYDE, ACS; LS-28; DTXSID1020647; AC1Q6PVV; AI3-04466; FEMA 2489; Fufural; furan-2-carbaldehyde; Ant Oil, artificial; Bran oil; Quakeral; Ant Oil; HSDB 542; Furane-2-carbaldehyde; STL283124; A845786; 2-Furylmethanal; ANW-13660; Furfurale; Wood Tar; RTC-069695; DSSTox_RID_75709; DJ1HGI319P; Furaldehyde; 2-Formylofuran; Furfural, for synthesis, 98.0%; UN1199; MCULE-5757882837; 2-Furancarboxaldehyde; 2-Furaldehyde, 8CI; NCGC00091328-02; Furfural, >=98%, FCC, FG; Qo furfural; furan-2-aldehyde; a-Furole; SBB004386; 2-furanal; 1998/1/1; Furale; NSC-8841; 72277-EP2277848A1; NSC8841; Furfural, SAJ first grade, >=99.0%; 2-Formyl furan; EPA Pesticide Chemical Code 043301; NSC 8841; U1199; UNII-DJ1HGI319P; EINECS 202-627-7; NCGC00091328-03; 2-Furaldehyde, 98% 250g; furan-2 carbaldehyde; Pyroligneous vinegar; CS-0015696; Furancarbonal; CHEBI:34768; a-furfuraldehyde; Furancarboxaldehyde; .alpha.-Furole; Pyromucic aldehyde; Furfuralu; Furole; RCRA waste no. U125; KS-00000WKJ; MolPort-000-871-210; EINECS 232-450-0; Furfural, analytical reference material; 2-Formylofuran [Polish]; DSSTox_CID_647; STR00358; InChI=1/C5H4O2/c6-4-5-2-1-3-7-5/h1-4; MFCD00003229; 2-furancarboxyaldehyde; AM81812; Pyroligneous acid extract; C14279; Furan-2-carboxaldehyde; EINECS 202-627-7; furan-2-carbaldehyde; WLN: T5OJ BVH; 2-Furylaldehyde; Ant Oil, artificial; Furancarbonal; Bran oil; Furyl-methanal; 5-17-09-00292 (Beilstein Handbook Reference); Furfurylaldehyde; HSDB 542; Quakeral; Furfurole; Furfurale [Italian]; Furfurale; .alpha.-Furole; FURFURAL; Pyromucic aldehyde; ZINC03861345; 2-Furyl-methanal; 2-Furil-metanale; BRN 0105755; Furole; Furfural (natural); RCRA waste no. U125; Furaldehyde; Artificial ant oil; 2-Furaldehyde, purified; W248908_ALDRICH; 2-Formylofuran [Polish]; UN1199; 2-Furanaldehyde; FEMA No. 2489; 2-Furancarboxaldehyde; 185914_ALDRICH; 2-Furancarbonal; 2-Furfural; InChI=1/C5H4O2/c6-4-5-2-1-3-7-5/h1-4; Artificial oil of ants; 2-Furaldehyde; RCRA waste number U125; 319910_SIAL; 2-Formylfuran; Furfuraldehyde; C14279; Furan-2-carboxaldehyde; Furfurol; SBB004386; 98-01-1; W248924_ALDRICH; 2-Furankarbaldehyd [Czech]; 2-Furylaldehyde xypropane; F1294-0048; 39276-09-0; Furfural (2-Furfurol, 2-Furaldehyde); Furfural, natural, >=98%, FCC, FG; Furfural, ACS reagent, 99%; FEMA No. 2968; CTK1B4104; Tox21_111114; Rcra waste number U125; 2-Furylcarboxaldehyde; KSC214C0J; 2-Furylaldehyde; 72277-EP2308870A2; ST50213385; EC 202-627-7; 2-furancarbaldehyde; QSPL 102; AKOS000118907; I14-0911; alpha-Furole; FURFURAL; AC1L1OL7; 2-Furil-metanale; BRN 0105755; furan-2-carboxaldehydl; Artificial ant oil; Fuf ural; BIDD:ER0698; F0073; QSPL 006; 2-Furancarbonal; 2-Furfural; WOOD VINEGAR; 2-Furaldehyde; Furfuraldehyde; 2-Furankarbaldehyd [Czech]; Furfurol; I14-22069; RL06103; 72277-EP2308867A2; CCRIS 1044; Fural; furfuraldehydl; Tox21_300170; EPA Pesticide Chemical Code 067206; KB-24259; Furaldehydes [UN1199] [Poison]; HYBBIBNJHNGZAN-UHFFFAOYSA-N; FEMA No. 2967; 2-Furil-metanale [Italian]; SC-18048; Furaldehydes; WLN: T5OJ BVH; ACMC-20978u; Furyl-methanal; 5-17-09-00292 (Beilstein Handbook Reference); Furfurylaldehyde; ZINC3861345; Furfurole; Furfurale [Italian]; UNII-N4G9GAT76C component HYBBIBNJHNGZAN-UHFFFAOYSA-N; Furaldehydes [UN1199] [Poison]; Tox21_202191; TRA0077688; 2-Furyl-methanal; CAS-98-01-1; Furfural (natural); 2-furaldehydl; EBD294; Caswell No. 904; 2-Furankarbaldehyd; 2-Furanaldehyde; FEMA No. 2489; BP-31002; Pyroligneous acids; CHEMBL189362; Artificial oil of ants; NCGC00253954-01; 2-Formylfuran; DSSTox_GSID_20647; DB-003668; Furol; NCGC00259740-01; LS-162370; 2-furan-carboxaldehyde; alpha-Furfuraldehyde; Caswell No. 466; NCGC00091328-04; Nci-C56177; Furfural, 99%; 2-FURANCARBOXALDEHYDE, ACS; LS-28; DTXSID1020647; AC1Q6PVV; AI3-04466; FEMA 2489; Fufural; furan-2-carbaldehyde; Ant Oil, artificial; Bran oil; Quakeral; Ant Oil; HSDB 542; Furane-2-carbaldehyde; STL283124; A845786; 2-Furylmethanal; ANW-13660; Furfurale; Wood Tar; RTC-069695; DSSTox_RID_75709; DJ1HGI319P; Furaldehyde; 2-Formylofuran; Furfural, for synthesis, 98.0%; UN1199; MCULE-5757882837; 2-Furancarboxaldehyde; 2-Furaldehyde, 8CI; NCGC00091328-02; Furfural, >=98%, FCC, FG; Qo furfural; furan-2-aldehyde; a-Furole; SBB004386; 2-furanal; 1998/1/1; Furale; NSC-8841; 72277-EP2277848A1; NSC8841; Furfural, SAJ first grade, >=99.0%; 2-Formyl furan; EPA Pesticide Chemical Code 043301; NSC 8841; U1199; UNII-DJ1HGI319P; EINECS 202-627-7; NCGC00091328-03; 2-Furaldehyde, 98% 250g; furan-2 carbaldehyde; Pyroligneous vinegar; CS-0015696; Furancarbonal; CHEBI:34768; a-furfuraldehyde; Furancarboxaldehyde; .alpha.-Furole; Pyromucic aldehyde; Furfuralu; Furole; RCRA waste no. U125; KS-00000WKJ; MolPort-000-871-210; EINECS 232-450-0; Furfural, analytical reference material; 2-Formylofuran [Polish]; DSSTox_CID_647; STR00358; InChI=1/C5H4O2/c6-4-5-2-1-3-7-5/h1-4; MFCD00003229; 2-furancarboxyaldehyde; AM81812; Pyroligneous acid extract; C14279; Furan-2-carboxaldehyde | C5H4O2 | 96.08 g/mol | C1=COC(=C1)C=O |
| TCMBANKIN058450 | ADO | nchembio.2007.56-comp13; CHEBI:16335; Bio1_000437; 9-beta-D-Ribofuranosyl-9H-purin-6-amine; AIDS-001224; 9beta-D-Ribofuranosyladenine; BSPBio_001796; beta-Adenosine; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol; beta-D-Ribofuranoside, adenine-9; D00045; 46969-16-8; SDCCGMLS-0003108.P003; 4-Aminopyrazolo[3,4-d]pyrimidine ribonucleoside; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 6-Amino-9-.beta.-ribofuranosyl-9H-purine; NSC 7652; Bio1_001415; Adenosine (JAN/USP); Spectrum2_001257; Spectrum3_000288; Adenosine, homopolymer; ADN; Caswell No. 010B; Adenocard; C00212; SR 96225; Adenocard (TN); EINECS 200-389-9; KBio3_001296; 9H-Purin-6-amine, 9beta-D-ribofuranosyl-; Polyadenosine; beta-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-; (2R,3R,4S,5R)-2-(6-amino-9-purinyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; MLS000069638; AI3-52413; 9-beta-D-Ribofuranosidoadenine; A9251_SIGMA; Adenoscan (TN); Bio1_000926; ZINC02169830; CCRIS 2557; NCGC00023673-05; Ade-Rib; nchembio706-5; 30143-02-3; 6-Amino-9-beta-D-ribofuranosyl-9H-purine; Adenosin [German]; NSC 627048; SMR000058216; 9-beta-D-Ribofuranosyladenine; SPBio_001194; beta-D-Adenosine; Adenosine [USAN:BAN]; Polyriboadenosine; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; AIDS001224; 6-Amino-9beta-D-ribofuranosyl-9H-purine; ST009496; Adenoscan; A4036_SIGMA; SPECTRUM1500107; 46946-45-6;SCHEMBL170902; adenosine ; AKOS015960342; AC-5504; BC200893; Adenosine;adenosine;adeninenucleoside | C10H13N5O4 | 267.24 g/mol | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N |
| TCMBANKIN058471 | fructose;D-fructose | SCHEMBL16930344 | C6H12O6 | 180.16 g/mol | C1C(C(C(C(O1)(CO)O)O)O)O |
| TCMBANKIN058486 | Heriguard | Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1S-(1alpha,3beta,4alpha,5alpha)]-; Chlorogenic acid (8CI); Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1S-(1.alpha.,3.beta.,4.alpha.,5.alpha.)]-; SDCCGMLS-0066467.P001; 202650-88-2; ACon1_000581; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,4,5-trihydroxy-1-cyclohexanecarboxylic acid; NSC407296; C00852; [1S-(1alpha,3beta,4alpha,5alpha)]-3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; Chlorogenic acid hemihydrate; Spectrum5_000733; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylic acid; 3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy] 1,4,5-trihydroxycyclohexanecarboxylic acid; CHEBI:16112; C12209; Prestwick0_000427; CCRIS 1400; Prestwick3_000427; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; EINECS 206-325-6; Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; Prestwick2_000427; 3-Caffeoylquinic acid; BSPBio_000414; DivK1c_007053; KBio1_001997; BPBio1_000456; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid; SMP1_000066; KBio2_002354; KBio2_004922; AIDS-012116; C3878_SIGMA; Caffeoyl quinic acid; SPECTRUM210800; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; 25700_FLUKA; trans-5-O-Caffeoyl-D-quinate; 1,3,4,5-tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate); SPBio_001836; BSPBio_003353; KBio3_002855; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; BB_NC-1939; NSC70861; NSC 407296; Chlorogenic acid; Chlorogenate; Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1S-(1-alpha,3-beta,4-alpha,5-alpha))-; Spectrum3_001797; 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate; Spectrum2_001898; AIDS012116; Spectrum_001846; 3-O-Caffeoylquinic acid; SPBio_002353; KBio2_007490; 5-O-(3,4-Dihydroxycinnamoyl)-L-quinic acid; cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; Prestwick_112; KBioSS_002357; NSC 70861; 3-(3,4-Dihydroxycinnamoyl)quinic acid; Prestwick1_000427; Hlorogenic acid; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,4,5-trihydroxy-1-cyclohexanecarboxylic acid; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; [1S-(1alpha,3beta,4alpha,5alpha)]3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; SpecPlus_000957; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)acryloyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; 3-O-(3,4-Dihydroxycinnamoyl)-D-quinic acid; 327-97-9; Chlorogenic acid (8CI); (+)-Chlorogenic acid; ZINC2138728; AJ-33519; SDCCGMLS-0066467.P001; 3-(3,4-Dihydroxycinnamoyl)quinate; Hoodia Chinese Extract; [1S-(1alpha,3beta,4alpha,5alpha)]-3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; NCGC00168941-03; AK-49688; CCRIS 1400; 3-CQ; 3-Caffeoylquinic acid; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexanecarboxylic acid; BPBio1_000456; Chlorogenic acid (constituent of echinacea angustifolia root, echinacea pallida root, echinacea purpurea root and echinacea purpurea aerial parts) [DSC]; 3-[3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid; UNII-318ADP12RI; 5-Caffeoylquinic acid; BB_NC-1939; (1S,3R,4R,5R,E)-3-(3-(3,4-dihydroxyphenyl)acryloyloxy)-1,4,5-trihydroxycyclohexanecarboxylic acid; CHLOROGENIC ACID; Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; 3-O-Caffeoylquinic acid; Caffetannic acid; Chlorogenic acid [MI]; ALBB-030169; 202650-88-2; CCG-38471; Cyclohexanecarboxylic acid, 3-(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; C00852; trans-5-O-Caffeoylquinic acid; HMS1923C11; MLS002153805; trans-5-O-caffeoyl-D-quinate; MolPort-035-394-873; CHEBI:16112; 3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy] 1,4,5-trihydroxycyclohexanecarboxylic acid; SMR000857273; Prestwick2_000427; Chlorogenic acid [WHO-DD]; SR-01000946600-1; Chlorogenic acid, European Pharmacopoeia (EP) Reference Standard; MCULE-8135887819; SR-01000841185; ACT03375; SPECTRUM210800; edit(1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid; SR-01000946600; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylicacid; PubChem13036; 3-[(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid; Chlorogenate; AC1LX54Y; (1S,3R,4R,5R)-3-[(E)-3-(3,4-DIHYDROXY-PHENYL)-ACRYLOYLOXY]-1,4,5-TRIHYDROXY-CYCLOHEXANECARBOXYLIC ACID; Chlorogenic?acid; Quinic acid, 3-caffeoyl-, E-; NCGC00168941-01; AC-6032; AKOS015955866; 32CF6D13-8F08-485F-B79E-F8A6AC318E07; (1S,3R,4R,5R)-3-((E)-3-(3,4-dihydroxyphenyl)acryloyloxy)-1,4,5-trihydroxycyclohexanecarboxylic acid; Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1S-(1alpha,3beta,4alpha,5alpha)]-; (1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid; TL8001703; [1S-(1alpha,3beta,4alpha,5alpha)]3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; NSC-407296; 3-O-(3,4-Dihydroxycinnamoyl)-D-quinic acid; Chlorogenic acid, United States Pharmacopeia (USP) Reference Standard; Hlorogenate; 3-trans-Caffeoylquinic acid; BG00688012; ACon1_000581; Chlorogenic acid, Chiral; HMS2235F03; NSC407296; J10338; ST2419179; Quinic acid, 5-caffeoyl-; CC-919; 318ADP12RI; Prestwick3_000427; EINECS 206-325-6; NCGC00168941-02; 3-o-caffeoylquinic acid ; CHEBI:95271; BIDD:ER0453; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid; 327C979; 3-Caffeoylquinate; HY-N0055; 1,3,4,5-tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate); NSC70861; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1S-(1-alpha,3-beta,4-alpha,5-alpha))-; CHEMBL284616; CWVRJTMFETXNAD-JUHZACGLSA-N; 5-CQA; NSC 70861; (1S,3R,4R,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylic acid; bmse000387; Hlorogenic acid; LS-1202; SCHEMBL19466; (1R,3S,4S,5S)-3-[(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid; MolPort-001-740-212; Chlorogenic acid (constituent of st. john's wort) [DSC]; RL03176; Chlorogenic acid, primary pharmaceutical reference standard; AS-12284; MFCD00003862; 3-CQA; NSC-70861; Spectrum5_000733; D02HCQ; DB12029; SR-01000841185-4; HMS2096E16; s2280; Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; SC-13943; HMS3649E06; Chlorogenic acid, >=95% (titration); I04-11738; 5-caffeoyl quinic acid; 3-O-caffeoyl quinic acid; CS-3766; Caffeoyl quinic acid; Chlorogenicacid; BSPBio_003353; BDBM50327036; BC202916; NSC 407296; HMS1569E16; caffeoylquinic acid; CP chlorogenic acid; 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate; 3-O-caffeoyl-D-quinic acid; trans-Caffeic acid 5-o-D-quinate; (1S,3R,4R,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylic acid; Heriguard; 5-O-(3,4-Dihydroxycinnamoyl)-L-quinic acid; cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; Prestwick_112; 3-(3,4-Dihydroxycinnamoyl)quinic acid; BRD-K47114202-001-06-2; D54CAE3D-CDDA-455D-A28E-77FC9EFE4A43; BSPBio_000414; 327-97-9; CC0158; K-7597; 3-o-caffeoylquinic acid; caffetannic acid;caffeoylquinic acid ; 3- caffeoylquinic acid; 4-o-caffeoyl-d-quinic acide; [3-4] Chlorogenic acid; Chlorgenic acid; 4-o-caffeoyl-d-quinic acide; 5-caffeoylquinic acid; isochlorogenic acid; 5-Dicaffeoylquinic acid; isochlorogenic acid a; 5-o-caffeoylquinic acid; (1R,3R,4S,5R)-3-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; 5-o-caffeoylquinic acid ; 5-Caffeylquinic acid; trans-5-O-caffeoyl-D-quinic acid; 5- O- caffeoylquinicacid; (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid; ACon1_000392; 5- o -caffeoylquinic acid; (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,4,5-trihydroxy-1-cyclohexanecarboxylic acid; 1D-[1(OH),3,4/5]-3-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; 906-33-2; Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1R-(1alpha,3alpha,4alpha,5beta))-; (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; (1R-(1alpha,3alpha,4alpha,5beta))-3-((3-(3,4-Dihydroxyphenyl)-1-oxoallyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylic acid; CHEBI:16384; EINECS 212-997-1; 3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid; BIB6027; 3-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid; NSC-407297; AKOS022146313; neochlorogenicacid; CWVRJTMFETXNAD-DUXPYHPUSA-N; BDBM153327; 3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexanecarboxylic acid; 5-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,3,4-trihydroxycyclohexanecarboxylic acid; neo-chlorogenic,acid; 3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid; STL377917; 5-caffeoylquinic acid; neo-chlorogenic acid; NSC407297; ZX-AT010530; Isochlorogenic acid; 5-O-caffeoyl quinic acid; 5Z-Caffeoylquinic acid; AC1NSTIZ; BBL028113; OR1166; BPH-1068; 534-61-2; SCHEMBL1228850; MolPort-001-759-169; neochlorogenic acid; 3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexanecarboxylic acid; Neochlorogenic acid; isochlorogenic acid; isochlorogenicacid; ZINC3947476; NCGC00142471-01; NCGC00017241-02; AKOS025402181; CHEMBL1552319; AC-6051; chorogenic acid; 1,3-caffeoylquinic acid | C16H18O9 | 354.31g/mol | C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O |
| TCMBANKIN058491 | 1,5- two coffee acid; | (1S,3R,4R,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxy-cyclohexane-1-carboxylic acid; (1S,3R,4R,5R)-1,3-bis[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-4,5-dihydroxy-1-cyclohexanecarboxylic acid; AIDS-044737; 1,5-di-o-caffeoylquinic acid; 1,5- di- O- caffeoylquinic acid; 1,5-DCQA; (1S,3R,4R,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy]-4,5-dihydroxy-cyclohexane-1-carboxylic acid; (1S,3R,4R,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylic acid; AIDS044737; 1,5-di-O-caffeoylquinic acid;(1R,3R,4S,5R)-1,3-bis[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-4,5-dihydroxy-1-cyclohexanecarboxylic acid; (1R,3R,4S,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxy-cyclohexane-1-carboxylic acid; 30964-13-7; Dicaffeoylquinic acid; AIDS-008522; AIDS008522; (1R,3R,4S,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy]-4,5-dihydroxy-cyclohexane-1-carboxylic acid; (1R,3R,4S,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylic acid; 1,5-Dicaffeoylqunic acid; Cyclohexanecarboxylic acid, 1,3-bis((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-4,5-dihydroxy-; C10445; 1,3-di-O-Caffeoylquinic acid; 1,3-Dicaffeoylquinic acid;1,5-di-O-Caffeoylquinic acid;Cynrin;1,3-di-O-caffeoylquinic acid;1,3-dicaffeoylquinic acid;cynarin;Cynarin€ | C25H24O12 | 516.45 | C1C(C(C(CC1(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O |
| TCMBANKIN058586 | Prolinum | (-)-Proline (S)-2-Carboxypyrrolidine; 18875-45-1; (2S)-2-pyrrolidinecarboxylic acid; P5607_SIGMA; L-Proline-15N; AIDS018625; 4305-67-3; L-Proline, labeled with carbon-14; L-Proline (JAN); L-(-)-Proline; CHEBI:17203; 37159-97-0; Carboxypyrrolidine; P0380_SIAL; (-)-(S)-Proline; Proline (USP); D00035; NCGC00014017; W331902_ALDRICH; (2S)-pyrrolidine-2-carboxylic acid; (S)-pyrrolidine-2-carboxylic acid; L-Prolin; NSC-97923; P8865_SIAL; nchembio816-comp9; AIDS-018625; L-(2,3-3H)Proline; C00148; 4607-28-7; 81710_FLUKA; (2S)-proline; 608998_ALDRICH; 81709_FLUKA; proline | C5H9NO2 | 115.13 g/mol | C1CC(NC1)C(=O)O |
| TCMBANKIN058716 | β-selinene | ZINC8234293; (4aR,7R,8aS)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthalene eudesma-4(14),11-diene; .beta.-Eudesmene; CHEBI:10443; YOVSPTNQHMDJAG-QLFBSQMISA-N; Eudesma-4(14),11-diene; (4aR,7R,8aS)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthalene; (4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylenedecahydronaphthalene; beta-selinene; CHEMBL2287242; beta-Selinene; eudesemene; 17066-67-0; beta-Eudesmene; BETA-SELINENE; beta-selinene ; (4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylene-decalin; (4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylenedecalin; beta-selinene ; β- Selinene; (+)-beta-Selinene; (3R,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene; .beta.-Selinene; [4aR-(4aalpha,7alpha,8abeta)]-decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-naphthalene; 7-Isopropenyl-4a-methyl-1-methylenedecahydronaphthalene-, (4aR-(4a.alpha.,7.alpha.,8a.beta.))-; (4ar,7r,8as)-decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-naphthalene; AC1L9CQH; (+)-.beta.-Selinene; LMPR0103190014; C09723; Naphthalene, decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-, [4aR-(4a.alpha.,7.alpha.,8a.beta.)]-;eudesma-4(14),11-diene; Eudesma-4(14), 11-diene;b-selinene;Eudesma-4(14),11-diene;Selinene;(4aS,7S,8aR)-7-isopropenyl-4a-methyl-1-methylenedecalin;(4aS,7S,8aR)-7-isopropenyl-4a-methyl-1-methylene-decalin; 18423-23-9; Naphthalene, decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-, (4aR-(4aalpha,7alpha,8abeta))-; (3S,4aR,8aS)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene | C15H24 | 204.35 g/mol | CC(=C)C1CCC2(CCCC(=C)C2C1)C |
| TCMBANKIN058837 | Supraene | trans-Squalene; SQUALENE; 94016-35-0; 2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-; (E,E,E,E)-Squalene; InChI=1/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24; 442785_SUPELCO; Squalene, Spinacene, Supraene; AIDS-017396; 2,6,10,15,19,23-Hexamethyltetracosa-2,6,10,14,18,22-hexaene; 2,6,10,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaene; All-trans-Squalene; 111-02-4; EINECS 203-826-1; (14E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene; 2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-,; S3626_SIGMA; 7683-64-9; CHEBI:15440; 2,6,10,14,18,22-tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (6E,10E,14E,18E)-; 2,6,10,15,19,23-Hexamethyltetracosa-(2E,6E,10E,14E,18E,22E)-2,6,10,14,18,22-hexaene; AIDS017396; Spinacene; C00751; NSC93748; (all-E)-2,6,10,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaene; LMPR01060008; 2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (all-E)-; CCRIS 711; (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;squalene | C30H50 | 410.72 | CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C |
| TCMBANKIN058936 | Hypnon | 1-Phenylethanone; InChI=1/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H; C07113; Acetylbenzene; ZINC00896628; Ethanone, 1-phenyl-; Acetophenon; 00790_FLUKA; Ketone, methyl phenyl; WLN: 1VR; 442438_SUPELCO; Methyl phenyl ketone; Usaf ek-496; 42163_FLUKA; Ketone, methyl phenyl-; Benzoyl methide; AI3-00575; AIDS-017929; W200905_ALDRICH; FEMA Number 2009; RCRA waste number U004; FEMA No. 2009; Phenyl methyl ketone; NSC 7635; RCRA waste no. U004; NSC7635; A10701_ALDRICH; 98-86-2; CCRIS 1341; AC0; Acetophenone; ST5213401; EINECS 202-708-7; CHEBI:27632; Hypnone; 1-phenylethan-1-one; HSDB 969; Benzoylmethide; 1-Phenyl-1-ethanone; Benzene, acetyl-; c0117; AIDS017929; Acetofenon [Czech]; Acetylbenzol;1-(Phenyl-D5)-Ethanon; NSC 98542-d5; 1-[(2,3,4,5,6-(2)H?)PHENYL]ETHANONE; Acetophenone-(phenyl-d5), 99 atom % D; ACM28077647; DTXSID70466417; Acetophenone-2',3',4',5',6'-d5; Acetophenon-d5; pentadeuterophenyl methyl ketone; FT-0661057; Acetylbenzene-d5; Hypnone-d5; MFCD00064446; 1-(Phenyl-d5)ethanone; 1-(2,3,4,5,6-pentadeuteriophenyl)ethanone; Acetophenone-2/',3/',4/',5/',6/'-d5; SCHEMBL1332185; Methyl (Phenyl-d5) Ketone; DE155; J-016964; 28077-64-7; 1-(Phenyl-d5)-1-ethanone; MolPort-003-929-975; NSC 7635-d5; (Phenyl-d5) Methyl Ketone; Acetophenone-(phenyl-d5); Acetophenone-d5; Acetophenone-2 inverted exclamation marka,3 inverted exclamation marka,4 inverted exclamation marka,5 inverted exclamation marka,6 inverted exclamation marka-d5; Hypnon-d5; 1-Feniletanone-d5; Acetophenone-(phenyl-d5) 99 atom % D; 1-Phenylethanone-d5; Acetophenone-2'3'4'5'6-d5;phenyl-ethanone;acetophenone;phenylethanone;1-phenylethanone | C8H8O | 120.15 g/mol | CC(=O)C1=CC=CC=C1 |
| TCMBANKIN059230 | isovalericacid | LS-2386; ST5213941; Iva; Butanoic acid , 3-methyl-; Butyric acid, 3-methyl-; Kyselina isovalerova [Czech]; W310212_ALDRICH; Isobutyl formic acid; beta-Methylbutyric acid; 92634-50-9; 503-74-2; CHEBI:28484; WLN: QV1Y1&1; EINECS 207-975-3; 3-Methylbutyrate; isovaleric acid; METHYLBUTANOIC ACID; 4-02-00-00895 (Beilstein Handbook Reference); InChI=1/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7; NSC62783; Isovaleric acid (natural); 3-Methylbuttersaeure; Delphinic acid; 129542_ALDRICH; AI3-24132; NSC 62783; Butanoic acid, 3-methyl-, (R)-; FEMA Number: 3102; 3-methyl-butanoic acid; Acetic acid, isopropyl-; Isovaleriansaeure; 3-Methylbutyric acid; C08262; 3,4-Diisovaleryl adrenaline; HSDB 629; Isovalerianic acid; .beta.-Methylbutyric acid; BRN 1098522; 59850_FLUKA; Isopropylacetic acid; LMFA01020181; Isobutylformic acid; FEMA No. 3102; Isovaleric acid; Butanoic acid, 3-methyl-; W310204_ALDRICH; Isopentanoic acid; Isovalerianic; 35915-22-1; 3-Methylbutanoic acid | C5H10O2 | 102.13 g/mol | CC(C)CC(=O)O |
| TCMBANKIN059240 | Isovaleral | Aldehyde isovalerianique [French]; Isopentanal; beta-Methylbutanal; 2-Methylbutanal-4; C07329; 3-Methyl butyraldehyde; 3-Methylbutanal; Isovaleric aldehyde; 1-Butanal, 3-methyl-; Isopentaldehyde; W269212_ALDRICH; Isoamyl aldehyde; WLN: VH1Y1&1; 4-01-00-03291 (Beilstein Handbook Reference); 59820_FLUKA; Butanal, 3-methyl-; beta-Methylbutyraldehyde; InChI=1/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H; .beta.-Methylbutanal; 3-Methylbutylaldehyde; 590-86-3; EINECS 209-691-5; 3-Methylbutyraldehyde (natural); NSC 404119; BRN 0773692; Butanal, methyl-; CCRIS 2945; NSC404119; Isoamylaldehyde; ZINC00896832; iso-C4H9CHO; W269204_ALDRICH; FEMA No. 2692; AI3-16106; HSDB 628; Isovalerylaldehyde; 3-Methylbutan-1-al; 3-Methylbutyraldehyde; 146455_ALDRICH; CHEBI:16638; 3-Methyl-1-butanal; 26140-47-6; Isovaleraldehyde; Butyraldehyde, 3-methyl-; Butanal,- methyl-; Butanal, 3- methyl-; isovaleraldehyde; 3-methyl butanal | C5H10O | 86.13 | CC(C)CC=O |
| TCMBANKIN059271 | 2-methyl-propanol | isobutanol;i-Butanol;2-methyl-l-propano;CCRIS 2300; 68989-27-5; Isobutanol or isobutyl alcohol [UN1212] [Flammable liquid]; 58450_FLUKA; CHEBI:46645; LS-1756; Isobutylalkohol; 442623_SUPELCO; FEMA No. 2179; UN1212; W217913_ALDRICH; 2-Methyl propanol; 2-methylpropanol; 33064_RIEDEL; NSC5708; InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H; 320048_SIAL; 294829_ALDRICH; 1-Hydroxymethylpropane; 2-Methylpropyl alcohol; AI3-01777; Fermentation butyl alcohol; 538132_ALDRICH; Isobutylalkohol [Czech]; Isobutyl alcohol (natural); 154687_SIAL; EINECS 273-552-5; i-Butyl alcohol; ZINC01687155; Iso-butyl alcohol; 82059_FLUKA; NCGC00091851-01; Isopropylcarbinol; HSDB 49; Isobutyl alcohol; NSC 5708; 78-83-1; Isobutanol; EINECS 201-148-0; 2-Methylpropan-1-ol; WLN: Q1Y1&1; iso-C4H9OH; BRN 1730878; Alcohols, C8-13-iso-; 2-Methylpropanol-1; 2-Methyl-1-propanol; Alcool isobutylique; 1-Propanol, 2-methyl-; 58448_FLUKA; 270466_ALDRICH; RCRA waste number U140; W217905_ALDRICH; 4-01-00-01588 (Beilstein Handbook Reference); Alcool isobutylique [French]; C14710; FEMA Number 2179; RCRA waste no. U140 | C4H10O | 74.12 g/mol | CC(C)CO |
| TCMBANKIN059438 | 2-methoxy-4-propenyl phenol | C10H12O2 | 164.2 g/mol | CC=CC1=CC(=C(C=C1)O)OC | |
| TCMBANKIN059599 | taraxe-rol | C30H50O | 426.7 g/mol | CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)C)C | |
| TCMBANKIN059611 | esculentoside B | C36H56O11 | 664.8 g/mol | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)OC6C(C(C(CO6)O)O)O)O)C)C)C2C1)C)C(=O)O)C(=O)OC | |
| TCMBANKIN059711 | beta carotene | C40H56 | 536.87 | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C | |
| TCMBANKIN059827 | phenol,2,6-bis(1,1-dimethylethyl)-4-methyl | C15H24O | 220.35 g/mol | CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C | |
| TCMBANKIN059860 | m-xylene | C8H10 | 106.17 g/mol | CC1=CC(=CC=C1)C | |
| TCMBANKIN059917 | methylbenzol | C6H5CH3 | 92.14 g/mol | CC1=CC=CC=C1 | |
| TCMBANKIN059948 | Vitamin- G | C17H20N4O6 | 376.36 | CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O | |
| TCMBANKIN060114 | 2-[(2R,4aR,8aS)-4a-methyl-8-methylene-decalin-2-yl]acrylic acid | C15H22O2 | 234.33 | CC12CCCC(=C)C1CC(CC2)C(=C)C(=O)O | |
| TCMBANKIN060600 | 2-methyl cyclopentanol | C6H12O | 100.16 | CC1CCCC1O | |
| TCMBANKIN060633 | PPI | C3H6O2 | 74.08 g/mol | CCC(=O)O | |
| TCMBANKIN060693 | Sitogluside | C35H60O6 | 576.85g/mol | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C | |
| TCMBANKIN060705 | methyl linoleate | C19H34O2 | 294.47 | CCC=CCC=CCC=CCCCCCCCC(=O)OC | |
| TCMBANKIN060716 | β-hexenol | C6H12O | 100.16 g/mol | CCC=CCCO | |
| TCMBANKIN060735 | EB | C8H10 | 106.16 g/mol | CCC1=CC=CC=C1 | |
| TCMBANKIN060773 | 3-methylhexane | C7H16 | 100.2 | CCCC(C)CC | |
| TCMBANKIN060790 | leaf aldehyde | C6H10O | 98.14 g/mol | CCCC=CC=O | |
| TCMBANKIN060800 | propyl cyclopentane | C8H16 | 112.21 | CCCC1CCCC1 | |
| TCMBANKIN060868 | trans-2,4-decadienal | C10H16O | 152.23 g/mol | CCCCCC=CC=CC=O | |
| TCMBANKIN060879 | Linolic acid | C18H32O2 | 280.4 g/mol | CCCCCC=CCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060888 | caproaldehyde | C6H12O | 100.16 g/mol | CCCCCC=O | |
| TCMBANKIN060891 | 2-Amyl furan | C9H14O | 138.21 g/mol | CCCCCC1=CC=CO1 | |
| TCMBANKIN060896 | Heptan | C7H16 | 100.2 | CCCCCCC | |
| TCMBANKIN060910 | cis-9-hexadecenoic acid | C16H30O2 | 254.41 g/mol | CCCCCCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060918 | WLN: VH6 | C7H14O | 114.19 | CCCCCCC=O | |
| TCMBANKIN060958 | oleic acid;cis-oleic acid;oleinic acid | C18H34O2 | 282.46 | CCCCCCCCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060959 | Methyl oleate | C19H36O2 | 296.5 g/mol | CCCCCCCCC=CCCCCCCCC(=O)OC | |
| TCMBANKIN060984 | 8-methylheptadecane | C18H38 | 254.49 | CCCCCCCCCC(C)CCCCCCC | |
| TCMBANKIN060994 | capraldehyde | C10H20O | 156.26 g/mol | CCCCCCCCCC=O | |
| TCMBANKIN061006 | lauric acid | C12H24O2 | 200.32 | CCCCCCCCCCCC(=O)O | |
| TCMBANKIN061024 | tetradecane | C14H28 | 196.39 g/mol | CCCCCCCCCCCCC=C | |
| TCMBANKIN061029 | myristic acid | C14H28O2 | 228.37 | CCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061031 | Promyr | C17H34O2 | 270.45 | CCCCCCCCCCCCCC(=O)OC(C)C | |
| TCMBANKIN061037 | 1-pentadecene | C15H30 | 210.4 g/mol | CCCCCCCCCCCCCC=C | |
| TCMBANKIN061043 | MYS | C15H32 | 212.41 | CCCCCCCCCCCCCCC | |
| TCMBANKIN061045 | PENTADECYLIC ACID | C15H30O2 | 242.4 g/mol | CCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061058 | n-hexadecane | C16H34 | 226.44 g/mol | CCCCCCCCCCCCCCCC | |
| TCMBANKIN061071 | Ethylpalmitate | C18H36O2 | 284.5 g/mol | CCCCCCCCCCCCCCCC(=O)OCC | |
| TCMBANKIN061079 | hexahydroaplotaxene | C17H34 | 238.5 g/mol | CCCCCCCCCCCCCCCC=C | |
| TCMBANKIN061085 | n-heptadecane;heptadecane;Heptadekan | C17H36 | 240.5 g/mol | CCCCCCCCCCCCCCCCC | |
| TCMBANKIN061091 | stearic acid | CH3(CH2)16COOH | 284.5 g/mol | CCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061101 | Nonadecylic acid | C19H38O2 | 298.5 g/mol | CCCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061102 | LFA | C20H42 | 282.55 g/mol | CCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061105 | Eicosanoic acid | C20H40O2 | 312.53 g/mol | CCCCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061111 | heneicosane | C21H44 | 296.57 | CCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061112 | heneicosanoicacid | C21H42O2 | 326.6 g/mol | CCCCCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061116 | n-docosane;TWT;docosane | C22H46 | 310.6 g/mol | CCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061118 | behenic acid | C22H44O2 | 340.6 g/mol | CCCCCCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061122 | tricosane | C23H48 | 324.63 g/mol | CCCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061127 | n-tetracosane | C24H50 | 338.65 | CCCCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061128 | n-tetracosanoic acid | C24H48O2 | 368.64 g/mol | CCCCCCCCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061133 | HEXACOSANE | C26H54 | 366.71 | CCCCCCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061194 | 1-hexanol | C6H14O | 102.17 g/mol | CCCCCCO | |
| TCMBANKIN061207 | Di-n-butyl phthalate | C16H22O4 | 278.34 g/mol | CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC | |
| TCMBANKIN061245 | Acetic ether | C4H8O2 or CH3COOC2H5 | 88.11 g/mol | CCOC(=O)C | |
| TCMBANKIN061264 | 1,1-diethoxy ethane;Acetal | C6H14O2 | 118.17 g/mol | CCOC(C)OCC | |
| TCMBANKIN061407 | methyl salicylate | NCGC00091106-02; Birch oil, sweet; Methyl salicylate (JP15/NF); Methylester kyseliny salicylove [Czech]; Gaultheriaoel; Spicewood Oil; Birch oil; InChI=1/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H; Betula Lenta; 4-10-00-00143 (Beilstein Handbook Reference); FEMA Number 2745; Theragesic; EPA Pesticide Chemical Code 076601; Panalgesic; 2-Hydroxybenzoic acid, methyl ester; 76631_FLUKA; 119-36-8; o-Hydroxybenzoic acid, methyl ester; 2-Carbomethoxyphenol; Teaberry oil; Metylester kyseliny salicylove [Czech]; M2047_SIAL; Methyl salicylate (natural); 84332_FLUKA; Analgit; Flucarmit; Methyl o-hydroxybenzoate; Sweet birch oil; Methyl salicylate (TN); Methyl salicylate [JAN]; Gaultheria oil; Wintergruenoel; Enamine_001611; Oil of Wintergreen; M6752_SIAL; Synthetic Wintergreen Oil; 8022-86-4; Betula oil; Gaultheria Oil, artificial; Betula; Wintergreen oil; Metylester kyseliny salicylove; 2-Hydroxybenzoic acid methyl ester; Exagien; EINECS 204-317-7; FEMA No. 2745; 2-(Methoxycarbonyl)phenol; WLN: QR BVO1; W215481_ALDRICH; LS-616; Caswell No. 577; AI3-00090; W274518_ALDRICH; NSC8204; Methyl 2-hydroxybenzoate; W311308_ALDRICH; Natural Wintergreen Oil; C12305; ZINC00000490; HSDB 1935; T0505-2596; Benzoic acid, 2-hydroxy-, methyl ester; Methyl salicylate; D01087; 8024-54-2; BRN 0971516; NSC 8204; NCGC00091106-01; Wintergreen Oil, synthetic; CCRIS 6259; Salicylic acid, methyl ester; Methyl hydroxybenzoate; salicylic acid,methyl ester; Gaultheriaoel | C8H8O3 | 152.15 g/mol | COC(=O)C1=CC=CC=C1O |
| TCMBANKIN061511 | arctigenin | AIDS002466; C10545; (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxy-phenyl)methyl]tetrahydrofuran-2-one; arctigenin ; Arctigenin; 41328-87-4; MLS002473154; NCGC00025291-01; MEGxp0_001799; HMS2198I14; Arctigenin, (+)-; (3S,4S)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one; 695QU32V04; SMR001397246; (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one; (3R,4R)-4-(3,4-dimethoxybenzyl)-3-(4-hydroxy-3-methoxy-benzyl)tetrahydrofuran-2-one; 7770-78-7; 26687-78-5; (3R,4R)-4-[(3,4-Dimethoxyphenyl)methyl]dihydro-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2(3H)-furanone; AIDS-002466; ACon1_000416; Tocris-1777; (−)-Arctigenin; DTXSID50233381; UNII-2FD8L150E7 component NQWVSMVXKMHKTF-CVEARBPZSA-N; 2(3H)-Furanone, 4-((3,4-dimethoxyphenyl)methyl)dihydro-3-((4-hydroxy-3-methoxyphenyl)methyl)-, (3R-trans)-; (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-tetrahydrofuranone; (-)-Arctigenin; UNII-695QU32V04; 2(3H)-Furanone, 4-((3,4-dimethoxyphenyl)methyl)dihydro-3-((4-hydroxy-3-methoxyphenyl)methyl)-, (3S-trans)-; A1854_SIGMA; Arctigenen; 84413-77-4; Arctigenin, trans-(+)-; (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxy-phenyl)methyl]oxolan-2-one; (+)-Arctigenin; 2(3H)-Furanone, 4-((3,4-dimethoxyphenyl)methyl)dihydro-3-((4-hydroxy-3-methoxyphenyl)methyl)-, (3S,4S)-; ZINC899931; 2(3H)-Furanone, 4-((3,4-dimethoxyphenyl)methyl)dihydro-3-((4-hydroxy-3-methoxyphenyl)methyl)-, (3R,4R)-; CHEMBL369142; (-)-arctigenin | C21H24O6 | 372.4 g/mol | COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)O)OC)OC |
| TCMBANKIN061627 | matairesinol | 41328-88-5; AIDS030806; (-)-Matairesinol; Matairesinol; 3R,4R-Bis((4-hydroxy-3-methoxyphenyl)methyl)dihydro-2(3H)-furanone; AIDS-030806; (3R,4R)-3,4-bis[(4-hydroxy-3-methoxy-phenyl)methyl]tetrahydrofuran-2-one; ARTIGENIN CONGENER; (3R,4R)-3,4-bis(4-hydroxy-3-methoxy-benzyl)tetrahydrofuran-2-one; 580-72-3; DIBENZYLBUTYROLACTONE LIGNANOLIDE; (3R,4R)-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one; 40043_FLUKA; MEGxp0_001689; (3R,4R)-3,4-bis[(4-hydroxy-3-methoxy-phenyl)methyl]oxolan-2-one; Arbo 5; C10682; (3R,4R)-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-2-tetrahydrofuranone; (alphaR,betaR)-alpha,beta-Bis(4-hydroxy-3-methoxybenzyl)butyrolactone; ACon1_001075; 2(3H)-Furanone, dihydro-3,4-bis((4-hydroxy-3-methoxyphenyl)methyl)-, (3R-trans)-;(- )-matairesinol;MAX | C20H22O6 | 358.4 g/mol | COC1=C(C=CC(=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)O)OC)O |
| TCMBANKIN001416 | alpha-dirchroine | ||||
| TCMBANKIN001788 | clusin | C22H26O7 | 402.4 g/mol | COC1=CC(=CC(=C1OC)OC)CC2C(COC2O)CC3=CC4=C(C=C3)OCO4 | |
| TCMBANKIN002879 | arachidonic acid | (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoic acid; cis-5,8,11,14-Eicosatetraenoic acid; 3435-81-2; 5Z,8Z,11Z,14Z-icosatetraenoic acid; cis,cis,cis,cis-5,8,11,14-Eicosatetraenoic acid; C00219; ACD; Arachidonsaeure; arachidonicacid; DTXSID40473870; (5Z,8Z,11Z,14Z)-Icosatetraenoic acid; ST069383; 93444-49-6; (14C)Arachidonic acid; NCGC00094608-04; 5,8,11,14-Eicosatetraenoic acid, labeled with carbon-14, (all-Z)-; A3555_SIGMA; 5Z,8Z,11Z,14Z-eicosatetraenoic acid; all-cis-5,8,11,14-eicosatetraenoic acid; IDI1_034009; ARACHIDONIC ACID, [1-14C]-; BSPBio_001539; NCGC00094608-02; NCGC00094608-03; AIDS045704; CHEBI:15843; NCGC00094608-01; (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid; cis-Delta(5,8,11,14)-eicosatetraenoic acid; A3925_SIGMA; ACM3435812; Spectrum5_001910; Arachidonic acid-carboxy-14C; A9673_SIGMA; LMFA01030001; AIDS-045704; 10931_FLUKA; <i>cis,cis,cis,cis</i>-5,8,11,14-Eicosatetraenoic Acid | C20H32O2 | 304.5 g/mol | CCCCCC=CCC=CCC=CCC=CCCCC(=O)O |
| TCMBANKIN005481 | cuchiloside | C19H28O11 | C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC=C(C=C3)O)O)O)O)O)O)O | ||
| TCMBANKIN006027 | cubebinone | C23H26O8 | 430.45 | COC1=CC(=CC2=C1OCO2)CC3C(COC3=O)CC4=CC(=C(C(=C4)OC)OC)OC | |
| TCMBANKIN007618 | (1R,5R)-1-isopropyl-4-methylenebicyclo[3.1.0]hexane | (1R,5R)-1-isopropyl-4-methylene-bicyclo[3.1.0]hexane; (1R,5R)-4-methylidene-1-propan-2-yl-bicyclo[3.1.0]hexane; BB_NC-1492; (1R,5R)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane | C10H16 | 136.23 | CC(C)C12CCC(=C)C1C2 |
| TCMBANKIN010232 | magnosalin | C24H32O6 | 416.5 g/mol | CC1C(C(C1C2=CC(=C(C=C2OC)OC)OC)C3=CC(=C(C=C3OC)OC)OC)C | |
| TCMBANKIN010914 | (?)-cubebininolide | C24H30O8 | 446.5 g/mol | COC1=CC(=CC(=C1OC)OC)CC2COC(=O)C2CC3=CC(=C(C(=C3)OC)OC)OC | |
| TCMBANKIN013465 | (?)-thujaplicatin trimethyl ether | C23H28O7 | 416.5 g/mol | COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C(=C3)OC)OC)OC)OC | |
| TCMBANKIN014343 | cubebinin | C24H32O8 | 448.51 | COC1=CC(=CC(=C1OC)OC)CC2COC(C2CC3=CC(=C(C(=C3)OC)OC)OC)O | |
| TCMBANKIN019259 | Neric acid | C16461; 3,7-dimethylocta-2,6-dienoate; 2,6-Octadienoic acid, 3,7-dimethyl-; W412101_ALDRICH; Nerolic acid; WLN: QV1UY1&3UY1&1; 48813_FLUKA; AIDS228053; SMR000112472; NSC229335; 3,7-Dimethylocta-2,6-dienoic acid; 459-80-3; EINECS 207-299-9; NSC 229335; (2E)-3,7-dimethylocta-2,6-dienoic acid; 2,6-Octadienoic acid, 3,7-dimethyl-, (2E)-; 4698-08-2; 3-02-00-01469 (Beilstein Handbook Reference); Decaprenoic acid; Geranic acid; MLS000516004; 3,7-Dimethyl-2,6-octadienoic acid; 427764_ALDRICH; 3,7-Dimethyl-2,6(and 2,7)-octadienoic acid; AIDS-228053; AI3-12136; BRN 1763804 | C10H15O2- | 167.22 g/mol | CC(=CCCC(=CC(=O)[O-])C)C |
| TCMBANKIN020448 | Dihydrocubebin | C10558; (+)-Dihydrocubebin; dihydrocubebin; CHEMBL1641904; (2R,3R)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol; 1,4-Butanediol, 2,3-bis(1,3-benzodioxol-5-ylmethyl)-, (R-(R*,R*))-; 1,4-Butanediol, 2,3-bis(1,3-benzodioxol-5-ylmethyl)-, (R*,R*)-(-)-; 24563-03-9; ZINC6528354; CHEBI:70490; Dihydrocubebin, rel- | C20H22O6 | 358.39 | C1OC2=C(O1)C=C(C=C2)CC(CO)C(CC3=CC4=C(C=C3)OCO4)CO |
| TCMBANKIN024944 | isoyatein | C22H24O7 | 400.42 | COC1=CC(=CC(=C1OC)OC)CC2COC(=O)C2CC3=CC4=C(C=C3)OCO4 | |
| TCMBANKIN026150 | gama-dirchroine | ||||
| TCMBANKIN026901 | beta-dirchroine | AJ-54457; (E)-3-(3-(3-Hydroxy-2-piperidinyl)acetonyl)-4-(3H)-quinazolinone; Febrifugine;; 3-(3-(3-Hydroxy-2-piperidinyl)-2-oxopropyl)-4(3H)-quinazolinone; (E)-3-(3-(3-Hydroxy-2-piperidinyl)-2-oxopropyl)-4(3H)-quinazolinone; 4(3H)-Quinazolinone, 3-(3-(3-hydroxy-2-piperidinyl)-2-oxopropyl)-, (2S-trans)-; UNII-89UWD0FH2I; Dichroin; ZINC5641945; Febrifugine (8CI); 24159-07-7; trans-3-(beta-Keto-gamma-(3-hydroxy-2-piperidyl)propyl)-4-quinazolone; SCHEMBL9542831; Febrifugine; 3-[3-[3(S)-Hydroxypiperidin-2(R)-yl]-2-oxopropyl]-3,4-dihydroquinazolin-4-one; BC650542; 89UWD0FH2I | C16H19N3O3 | 301.34 g/mol | C1CC(C(NC1)CC(=O)CN2C=NC3=CC=CC=C3C2=O)O |
| TCMBANKIN028671 | Litsoeine | NSC 106610; 6a-alpha-NORAPORPHIN-9-OL, 1,2,10-TRIMETHOXY-; 6aalpha-Noraporphin-9-ol, 1,2,10-trimethoxy- (8CI); 4H-Dibenzo(de,g)quinolin-9-ol, 5,6,6a,7-tetrahydro-1,2,10-trimethoxy-, (S)-; 4H-Dibenzo(de,g)quinolin-9-ol, 5,6,6a,7-tetrahydro-1,2,10-trimethoxy-, (S)- (9CI); Laurotetanin; Laurotetanine; 128-76-7; 1,2,10-Trimethoxy-6a-alpha-noraporphin-6-ol | C19H21NO4 | 327.37 | COC1=C(C2=C3C(CC4=CC(=C(C=C42)OC)O)NCCC3=C1)OC |
| TCMBANKIN029985 | (?)-clusin | C22H26O7 | 402.4 g/mol | COC1=CC(=CC(=C1OC)OC)CC2(CC(OC2)O)CC3=CC4=C(C=C3)OCO4 | |
| TCMBANKIN030280 | (?)-cubebinin | C24H32O8 | 448.5 g/mol | COC1=CC(=CC(=C1OC)OC)CC2COC(C2CC3=CC(=C(C(=C3)OC)OC)OC)O | |
| TCMBANKIN030376 | magnoshinin | C24H30O6 | 414.5 g/mol | CC1C(C2=C(C=C1C)C(=CC(=C2OC)OC)OC)C3=CC(=C(C=C3OC)OC)OC | |
| TCMBANKIN033161 | 1-[(1R,2R,3R,4R)-2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)cyclobutyl]-2,4,5-trimethoxybenzene | 1-[(1R,2R,3R,4R)-2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)cyclobutyl]-2,4,5-trimethoxy-benzene | 416.56 | ||
| TCMBANKIN035115 | cubebininolide | C24H30O8 | 446.5 g/mol | COC1=CC(=CC(=C1OC)OC)CC2COC(=O)C2CC3=CC(=C(C(=C3)OC)OC)OC | |
| TCMBANKIN037167 | (8R,8'R)-4-Hydroxycubebinone | 416.4 g/mol | |||
| TCMBANKIN037541 | alpha-Cubebene | α-cubebene; α- cubebene; 17699-14-8; alpha-cubebene; C09647 | C15H24 | 204.351 | C([H])([H])([H])[C@@]1([H])[C@@]2([C@]3([H])C(C([H])([H])[H])=C([H])C2([H])[H])[C@@]3([H])[C@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H] |
| TCMBANKIN038275 | (+)-medioresinol | (+)-Medioresinol di-O-beta-D-glucopyranoside_qt | C21H24O7 | 388.41 | COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC |
| TCMBANKIN038744 | 5alpha,8alpha-epidioxy-(22E,24R)-ergosta-6,22-dien-3beta-ol | 5α,8α-epidioxy-(22E,24R )-ergosta-6,22-dien-3β-ol | C28H44O3 | 429 | C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@]([H])(C([H])([H])[H])\C([H])=C([H])\[C@]([H])(C([H])([H])[H])C([H])(C([H])([H])[H])C([H ])([H])[H])C([H])([H])C2([H])[H])[C@]23[H])[C@]3(OO4)C([H])=C5[H])[C@@]45C([H])([H])[C@@]1([H])O[H] |
| TCMBANKIN038883 | Piperenol A | 384.4 g/mol | |||
| TCMBANKIN039761 | Zeylenol | 384.38 | |||
| TCMBANKIN041272 | stearic acid | 4-02-00-01206 (Beilstein Handbook Reference); AIDS-049230; Emersol 871; 8039-52-9; 126539-56-8; stearic acid, ion(1-); D00119; octadecoic acid; Hydrofol Acid 150 (VAN); 134503-33-6; Fatty acids C16-18; 68937-76-8; Kam 2000; VLZ 200; Lunac S 98; Glycon S-80; Hy-phi 1205; Lunac YA; Pristerene 9429; Pristerene 4900; Octadecanoic acid (9CI); Hystrene 9718NF; Edenor FHTI; Cetylacetic acid; NAA 173; NSC 25956; Lunac S 90; S 30C S 30C (fatty acid); Neo-Fat 18-61; Dar-chem 14; NSC25956; Edenor HT-JG 60; Octadecanoate; 57485-56-0; Oktadekansaeure; S 300 (fatty acid); Unister NAA 180; Industrene 5016; Prisorine 3508; Hydrofol Acid 150; Hystrene 4516; G 270; Stearic Acid Cherry; Century 1230; 822-16-2 (SODIUM SALT); NCGC00091596-02; Glycon S-90; 85404-83-7; NCGC00091596-01; Stearic acid (JP15/NF); Hystrene 5016; Hy-phi 1303; Glycon S-70; C01530; Octadecansaeure; Neo-Fat 18-55; WO 2 (fatty acid); Pristerene 9559; SA 200; Century 1240; Stearic acid, pure; Sunfat 18S; WO 2; CHEBI:28842; Industrene 5016K; LS-2392; Kam 3000; BRN 0608585; Edenor ST 20; AIDS049230; Lunac 30; EINECS 273-087-8; Emersol 150; 175366_SIAL; 8039-54-1; Fatty acids, C16-20; stearicacid; Stearic acid ion(1-)salt; Stearic acid (8CI); Stearinsaeure; Emersol 153NF; Hydrofol acid 1855; 57-11-4; Lunac S 30; Hystrene T 70; Prisorine 3501; Haimaric MKH(R); Stearex Beads; Groco 55; Hystrene S-97; Neo-Fat 18-54; W303518_ALDRICH; Hydrofol acid 1655; Nonsoul SN 1 (*Sodium salt*); EINECS 200-313-4; 39390-61-9; Emersol 120; EPA Pesticide Chemical Code 079082; Lunac S 20; Octadecanoic acid, ion(1-); 8013-28-3; AI3-00909; Kortacid 1895; FEMA No. 3035; Hystrene S 97; 82497-27-6; Tegostearic 254; SNA-2000 (*Sodium salt*); 1-Heptadecanecarboxylic acid; AC1MHWEJ; STL280244; 27405_RIEDEL; Steric acid; Industrene 9018; Glycon dp; F 3 (lubricant); Hy-phi 1401; Lunac S 50; Emersol 132; Stearic acid, ion(1-) (8CI); CH3-[CH2]16-COO(-); acide octadecanoique; Groco 55l; 73297_FLUKA; Serfax MT 90; Stearic acid [USAN:JAN]; 8039-51-8; acide stearique; Kam 1000; Acidum stearinicul; InChI=1/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20; 8039-53-0; 17FA; Stearophanic acid; 8037-83-0; Hystrene 7018; FA 1655; Prisorine 3502; Nonsoul SK 1; Hydrofol Acid 1895; Lunac S 40; Stearic acid 50; 8023-06-1; 85679_FLUKA; HSDB 2000; n-Octadecanoate; 400JB9103-88; Glycon tp; Unimac 5680; Loxiol G 20; Stearate; 875D; Octadecanoic acid; Neo-Fat 18-53; octadecanoate (n-C18:0); Radiacid 0427; Emery 871; Vanicol; Vis-Plus; PD 185; EINECS 250-178-0; AKOS022105769; 646-29-7; Edenor ST 1; S 300; Caswell No. 801D; Selosol 920; Tegostearic 272; Isostearic acid EX; A 1760; WLN: QV17; Stearic acid (TN); Pearl stearic; 609343-71-7; Palmitic acid - stearic acid mixture; Emersol 875; Industrene 8718; Hystrene 9718NFFG; NCGC00164255-02; ST023799; LMFA01010018; Groco 54; Edenor C18; Hystrene T-70; Hy-phi 1199; CTK8J8420; n-Octadecanoic acid; Groco 58; Pristerene 4963; Formula 300; AFCO-Chem B 65; CCRIS 2305; Industrene R; Century 1220; S4751_SIGMA; Neo-Fat 18; 58392-66-8; Barolub FTA; Hystrene 9718; CH3-[CH2]16-COOH; STE; 8037-40-9; 30399-84-9; Lunac S 90KC; Hydrofol 1895; Emery 875D; Century 1210; QIQXTHQIDYTFRH-UHFFFAOYSA-M; Neo-Fat 18-59; LS-1388; Groco 59; Humko Industrene R; Hystrene 80; Adeka Fatty Acid SA 910; Stearic acid; Prifac 2918; Emersol 6349; Edenor C 18/98; 3uex; LS-97707; CHEBI:25629; Neo-Fat 18-S; Stearic acid - palmitic acid mixture; Tegostearic 255; C-Lube 10 | C18H36O2 | 284 | C([H])([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])= O |
| TCMBANKIN041348 | (+)-Zeylenol | 384.4 g/mol | |||
| TCMBANKIN042731 | Hemiariensin | 400.42 | |||
| TCMBANKIN043208 | (1α,2β,5α,8α10α)-1,10-epoxy-2-hydroxy-3,7(11)-guaiadien-12,8-olide | C15H18O4 | CC1=CC(C23C1CC4=C(C(=O)OC4CC2(O3)C)C)O | ||
| TCMBANKIN044856 | (8r,8'r,9's)-5-methoxyclusin | C23H28O8 | 432.5 g/mol | COC1=CC(=CC2=C1OCO2)CC3COC(C3CC4=CC(=C(C(=C4)OC)OC)OC)O | |
| TCMBANKIN046714 | Cubeben camphor | 222.41 | |||
| TCMBANKIN047007 | Piperenol B | piperenol b | 384.38 | ||
| TCMBANKIN048636 | Ethoxyclusin | 446.5 g/mol | |||
| TCMBANKIN058294 | zeylenol | (+)-zeylenol; uvarigranol g; uvaribonol d | C21H20O7 | 384.38 | C1=CC=C(C=C1)C(=O)OCC2(C(C=CC(C2O)OC(=O)C3=CC=CC=C3)O)O |
| TCMBANKIN058467 | Hinokinin | Cubebinolide; (3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)-2-tetrahydrofuranone; CTK1F0599; 2(3H)-Furanone, dihydro-3,4-dipiperonyl-, trans-(-)-; hinokinin; 2(3H)-Furanone, 3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydro-, (3R-trans)-; (+)-Hinokinin; DDWGQGZPYDSYEL-CABCVRRESA-N; (3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-one; (3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-one; CHEMBL180970; 2(3H)-Furanone, 3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydro-, (3S,4S)-; 3,4-Bis(1,3-benzodioxol-5-ylmethyl)dihydro-2(3H)-furanone #; 580-73-4; 26543-89-5; DTXSID40451491; (3S,4S)-3,4-BIS(2H-1,3-BENZODIOXOL-5-YLMETHYL)OXOLAN-2-ONE; C10627; ZINC900115; SCHEMBL14064757 | C20H18O6 | 354.35g/mol | C1C(C(C(=O)O1)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5 |
| TCMBANKIN058493 | (?)-cubebin | 18423-69-3; (-)-Cubebin; AI3-62265; (3R,4R)-3,4-BIS(2H-1,3-BENZODIOXOL-5-YLMETHYL)OXOLAN-2-OL; SCHEMBL12857446; BG01069891; 1242843-00-0; 2-Furanol, 3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydro-; Tetrahydro-3,4-dipiperonylfuran-2-ol; (2S,3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-ol; Cubebine; AKOS000276832; 2-Furanol, 3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydro-, (2S,3R,4R)-; (2S,3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-ol; rac-Cubebin; AIDS-002469; (2S,3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)-2-tetrahydrofuranol; .beta.-Cubebin; cubebin; C10549; CHEMBL3752996; EINECS 242-300-6; AIDS002469; 2-Furanol, tetrahydro-3,4-dipiperonyl-; Cubebin; (- )-cubebin | C20H20O6 | 356.4 g/mol | C1C(C(C(O1)O)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5 |
| TCMBANKIN058823 | geranial | geranialdehyde; NCGC00091550-04; Citral, mixture of cis and trans; MFCD00006997; CITRAL NATURAL; Genanial; Citral (natural); A829835; RP21648; 250599-19-0; Citral; D00VWN; 3,7-dimethyl-(2e)-2,6-octadienal; NCI-C56348; AI3-28519; Q-200867; STOCK1N-24160; 433282-33-8; BRN 1721871; geranial ; EINECS 226-394-6; Lemsyn GB; NSC 6170; (2E)-3,7-dimethyl-2,6-octadien-1-al; FEMA No. 2303; 3,6-octadienal; alpha -Citral; CHEBI:23316; F0001-1403; Citral Ex Litsea(Citral ); 2,6-Octadienal, 3,7-dimethyl-, (2E)-; HSDB 993; ST24028249; 3,7-Dimethyl-1,2,6-octadienal; cis/trans-3,7-Dimethyl-2,6-octadienal; CHEMBL1080997; 758ZMW724E; Citral alpha; Geranaldehyde; ZINC1529208; (E)-3,7-Dimethyl-2,6-octadienal; WTEVQBCEXWBHNA-JXMROGBWSA-N; Citral, mixture of cis and trans, >=96%, FG; NSC-6170; CHEBI:137934; polyprenals; Citral, cis + trans; (E)-Neral; AN-21095; (2E)-3,7-dimethylocta-2,6-dienal; FEMA 2303; NCGC00091550-01; WLN: VH1UY1&3Y1&U1; LMPR0102010003; EINECS 205-476-5; STK802499; litsea cubeba oil terpeneless; Citral a; EC 205-476-5; 147060-73-9; AK116645; citral-b; Citral, Vetec(TM) reagent grade, 94%; (E)-Citral; RTR-037028; .alpha.-Citral; BRN 1721873; 2,6-Octadienal, 3,7-dimethyl-, (E)-; KB-234385; C01499; Z-Citral; AKOS000119519; 3,7-dimethylocta-2,6-dienal; BG00600714; Lemarome n; 5392-40-5; (E)-3,7-Dimethylocta-2,6-dienal; Citral, 95%; SCHEMBL23073; C15604; Citral, natural, >=96%, FCC, FG; TR-037028; 3,7-Dimethyl-trans-2,6-octadienal; LS41486; (E)-Geranial; trans-3,7-Dimethyl-2,6-octadienal; 4-01-00-03569 (Beilstein Handbook Reference); cis,trans-Citral; MolPort-001-783-112; NCGC00091550-02; UNII-758ZMW724E; EC 226-394-6; AI3-01011; ST50308094; lemonal; EPA Pesticide Chemical Code 040510; AC1LCVGF; UNII-T7EU0O9VPP component WTEVQBCEXWBHNA-JXMROGBWSA-N; NSC6170; MolPort-003-909-614; LS-97778; 37350-34-8; AN-23205; 1392408-16-0; EBD2204555; TL8003535; NCGC00091550-03; BBL011666; GERANIAL; Citral-A; InChI=1/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7; FEMA Number 2303; AJ-26578; CHEBI:16980; CJ-05166; 3,7-DIMETHYL-2,6-OCTADIENAL(TRANS); CITRAL SINTETICO; AC1Q6POW; (2Z)-3,7-Dimethyl-2,6-octadienal; (2E)-3,7-dimethyl-octa-2,6-dienal; Natural Citral; beta-Geranial; trans-Citral; AC1Q1NUZ; S14-1149; geranal; Caswell No. 221B; LEMAROME; 3,7-Dimethyl-2,6-octadienal; 2,6-Dimethyloctadien-2,6-al-8; 8022-94-4; 3,7-dimethyl-(e)-2,6-octadienal; cis-3,7-Dimethyl-2,6-octadienal; SBB060834; CJ-23866; SC-26888; 141-27-5; GTPL6327; 96680-15-8; CCRIS 1043; polyprenal; 3-01-00-03053 (Beilstein Handbook Reference); (2E)-3,7-Dimethyl-2,6-octadienal; cis/trans Citral;; 3,2,6-octadienal; trans-Citral = trans-3,7-Dimethyl-octa-2,6-dien-1-al; (Z)-3,7-Dimethyl-2,6-octadienal; Citral, analytical standard; 3,7- dimethylocta-2,6-dienal; alpha-Citral;(e)-citral;(E)-3,7- dimethyl-2,6-octadienal;citral a | C10H16O | 152.23 g/mol | CC(=CCCC(=CC=O)C)C |
| TCMBANKIN058851 | linalool | Spectrum5_000393; KBioGR_002294; KBio2_003260; KBio2_000692; (3R)-3,7-dimethylocta-1,6-dien-3-ol; W263516_ALDRICH; ZINC01529820;beta-linalool;NSC-3789; AK-50127; (+/-)-3,7-Dimethyl-1,6-octadien-3-ol; ACMC-209pf1; D0X5DC; Linalool Solution, 1000 mg/L, 1 ml (RM, ISO GUIDE 34); Linalool, primary pharmaceutical reference standard; CDOSHBSSFJOMGT-UHFFFAOYSA-N; AC1L1MRY; Howood Oil; 1,6-Octadien-3-ol, 3,7-dimethyl-, (3S)-; KSC377K8J; AC1Q1NVD; KB-179981; (+/-) LINALOOL; NCGC00259207-01; 3,6-dien-3-ol; AI3-00942; HSDB 645; (S)-Linalol; 2,7-Octadien-6-ol, 2,6-dimethyl-; 2,6-Dimethylocta-2,7-dien-6-ol; Linalool ex orange oil; (?)-3,7-Dimethyl-1,6-octadien-3-ol; DB-062552; I14-13929; FT-0614785; FCH1115719; Tox21_201658; 11024-20-7; BB_NC-00123; MolPort-001-783-101; LS-97796; 2,6-Dimethyl-2,7-octadien-6-ol; Linalool (natural); L0048; Linalool; BRN 1721488; 2,7-octadiene-6-ol; DSSTox_RID_77812; 3,7-Dimethyl-1,6-octadien-3-ol; BC207603; STL373777; AC1Q2BP3; FEMA No. 2635; ANW-37211; MCULE-2407576698; 3,6-octadien-3-ol; Natural Linalool; Linalool b; SCHEMBL20316; BBL027734; EINECS 204-811-2; LINALOOL (+); CU-01000013132-2; LINOLOOL (D); ST069326; dl-3,7-Dimethyl-3-hydroxy-1,6-octadiene; NSC 3789; CHEBI:17580; Linalool ex ho oil; Linalool, 97%; (.+/-.)-Linalool; allo-Ocimenol; GTPL2469; CCRIS 6557; ( -)-Linalool; BG00600803; NCGC00257060-01; C03985; EINECS 201-134-4; HMS2268E18; Tox21_303037; Phantol; (+-)-Linalool; SBB012353; SMR000112394; DTXSID7025502; (R)-3,7-Dimethyl-1,6-octadien-3-ol; DL -3,7-Dimethyl-3-hydroxy-1,6-octadiene; BB_NC-0123; NCGC00091688-04; (+/-)-3,7-Dimethyl-3-hydroxy-1,6-octadiene; CHEMBL25306; MLS002152908; WLN: 1Y1&U3XQ1&1U1 -,-; LINALYL ALCOHOL; Q-201306; 0-01-00-00462 (Beilstein Handbook Reference); SC-74998; CAS-78-70-6; (+/-)-linalool; LINALOOL EX BOIS DE ROSE; RTR-030706; NCGC00091688-02; Linalool, analytical standard; MFCD00008906; 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, (-)-; Linalool, >=97%, FCC, FG; AC-551; Linolool; NSC3789; Linalool, certified reference material, TraceCERT(R); FEMA Number 2635; AKOS015901617; 3,7-Dimethyl-1, 6-octadien-3-ol; p-Linalool; Linalool ex bois de rose oil; FEMA 2635; DSSTox_CID_5502; .beta.-Linalool; EC 201-134-4; TR-030706; CTK2H7584; LS-1752; KS-00000WLW; 3,7-Dimethylocta-1,6-dien-3-ol; DSSTox_GSID_25502; WLN: 1U1XQ1&3UY1&1; 1,6-Octadien-3-ol, 3,7-dimethyl-; ( )-linalool; CCRIS 3726; Linanool; 78-70-6; NCGC00091688-03; Caswell No. 526A; AN-22986; 2,6-Dimethyl-2,7-octadiene-6-ol; (RS)-Linalool; RP21877; (1)-3,7-Dimethyl-1,6-octadien-3-ol; AN-15757; AC1Q1NVE; LINALOOL, (+-)-; NCGC00091688-01; Linalol; beta-Linalool; EINECS 245-083-6; 22564-99-4; Linalool, .beta.; 2,7-dien-6-ol; EPA Pesticide Chemical Code 128838; 1, 3,7-dimethyl-, (-)-; 3,7-dimethyl-octa-1,6-dien-3-ol;L-linalool;CJ-23937; Spectrum5_000393; LMPR0102010013; AKOS028109218; linalool ; Linalool; 1,6-Octadien-3-ol,3,7-dimethyl-, (3R)-; (R)-3,7-Dimethyl-1,6-octadien-3-ol; AC1L9E4Q; KBioGR_002294; (R)-3,7-dimethylocta-1,6-dien-3-ol; KBio2_003260; Epoxydihydrolinalool; KBio2_000692; (3R)-3,7-dimethylocta-1,6-dien-3-ol; ZINC1529820; Spectrum4_001777; C11388; linalool oxide; 126-91-0; 3U21E3V8I2; KBio3_002285; CCG-38497; CTK8F1408; KBio2_005828; KBioSS_000692; (-)-Linalool; EINECS 204-811-2; (-)-3,7-dimethyl-1,6-octadien-3-ol; LINALOOL (+); (3R)-Linalool; L-LINALOOL, REF. IND.-14<F128><144><F255>; CHEMBL235672; CHEBI:28; SpecPlus_000909; SCHEMBL891312; (-)-Linalool, analytical standard; UNII-3U21E3V8I2; KBio1_001949; J-005448; MolPort-003-666-060; NCGC00095658-01; FT-0772303; BSPBio_002785; SDCCGMLS-0066889.P001; UNII-D81QY6I88E component CDOSHBSSFJOMGT-JTQLQIEISA-N; L-Linalool; 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, (-)-; L-Linalool, natural, >=95%, FG; SPBio_002007; Spectrum3_001173; 1,6-Octadien-3-ol, 3,7-dimethyl-, (3R)-; NCGC00095658-02; SPECTRUM1501212; SMP2_000331; (-)-Linalool, >=95.0% (sum of enantiomers, GC); Linalool, (-)-; 3R,7-dimethylocta-1,6-dien-3-ol; DivK1c_007005; (R)-linalool; (R)-(-)-3,7-Dimethyl-1,6-octadien-3-ol; DTXSID40872607; laevo-linalool; MFCD00135469; Spectrum2_001944; I14-45868; (3R)-3,7-dimethyl-1,6-octadien-3-ol; Spectrum_000212; (R)-(-)-Linalool | C10H18O | 154.25 g/mol | CC(=CCCC(C)(C=C)O)C |
| TCMBANKIN058909 | 1-(2,4,5-trimethoxyphenyl)-1,2-propanedione;1-(2,4,5-trimethoxyphenyl)-propane-1,2-dione | ;1-(2,4,5-trimethoxyphenyl)-propane-1,2-dione | C12H14O5 | 238.24 g/mol | CC(=O)C(=O)C1=CC(=C(C=C1OC)OC)OC |
| TCMBANKIN059000 | crotpoxide | 3,8-Dioxatricyclo[5.1.0.0(2,4)]octane-5,6-diol, 4-(hydroxymethyl)-, 5,6-diacetate 4-benzoate; NCI60_000149; crotepoxide; 20421-13-0; NSC106396; 4-((Benzoyloxy)methyl)3,8-dioxatricyclo(5.1.0.0)-octane-5,6-diol diacetate; Crotepoxide; AC1L4P74; ZINC4962900; NSC-106396; 3,4)]octane-5,6-diol, 4-(hydroxymethyl)-, 5,6-diacetate 4-benzoate; NCI60_000149; CHEMBL1976475; Futoxide; AA-504/21163045; 20421-13-0; CTK4E4177; NSC106396; 4-((Benzoyloxy)methyl)3,8-dioxatricyclo(5.1.0.0)-octane-5,6-diol diacetate; [(1r,2r,4r,5s,6r,7s)-5,6-diacetoxy-3,8-dioxatricyclo[5.1.0.02,4]oct-4-yl]methyl benzoate; futoxide; Crotepoxide | C18H18O8 | 362.3 g/mol | CC(=O)OC1C2C(O2)C3C(C1OC(=O)C)(O3)COC(=O)C4=CC=CC=C4 |
| TCMBANKIN059104 | prim-o-glucosylcimifugin | NP-002658; ACon1_000472; BRD-A58428623-001-01-6; MCULE-1156118860; MEGxp0_000922; MolPort-001-741-075; NCGC00169046-01;prim-o-gluco sylcimifogin | C22H28O11 | 468.4 g/mol | CC(C)(C1CC2=C(O1)C=C3C(=C2OC)C(=O)C=C(O3)COC4C(C(C(C(O4)CO)O)O)O)O |
| TCMBANKIN059197 | 1,4-cineole | 21499-90-1; DTXSID3047396; SCHEMBL18993155; RFFOTVCVTJUTAD-UHFFFAOYSA-N; 1,4-Cineole, technical, mixture of isomers, >=85% (GC); UNII-B55JTU839B; B55JTU839B; ZINC2040513; 1-Methyl-4-(1-methylethyl)-7-oxabicyclo[2.2.1]heptane, 9CI; SCHEMBL15450554; 470-67-7; 1,4-Cineole, analytical standard; (1S,4S)-1-ISOPROPYL-4-METHYL-7-OXABICYCLO[2.2.1]HEPTANE; EINECS 207-428-9; 7-Oxabicyclo(2.2.1)heptane, 1-isopropyl-4-methyl- (6CI); 1-Isopropyl-4-methyl-7-oxabicyclo(2.2.1)heptane; p-Menthane, 1,4-epoxy-; CHEMBL2288022; FEMA No. 3658; SCHEMBL13180469; 1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane; 1,4-EPOXY-P-MENTHANE; AN-23468; 1-METHYL-4-(1-METHYLETHYL)-7-OXABICYCLO[2.2.1]HEPTANE; (1s,4s)-1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane; SCHEMBL231925; 1-Isopropyl-4-methyl-7-oxabicyclo[2.2.1]heptane #; Isocineple; LS-2625; Isocineole; BRN 0104974; 7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-; 1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane; Ambap470-67-7; 7-Oxabicyclo(2.2.1)heptane, 1-isopropyl-4-methyl-; AC1L1UI5; HSDB 5425; 4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]heptane; 1,4-Cineole, >=95%, FG; 1-Isopropyl-4-methyl-7-oxabicyclo[2.2.1]heptane; 4-methyl-1-propan-2-yl-7-oxabicyclo[2.2.1]heptane; 5-17-01-00273 (Beilstein Handbook Reference); 1,4-Cineole; CHEBI:80788; MFCD00209502; p-Menthane, 1,4-epoxy; 1-Methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)heptane; CJ-32389; 1-isopropyl-4-methylbicyclo[2.2.1]heptane; C16909; 1beta,4beta-Epoxy-p-menthane; 7-Oxabicyclo(2.2.1)heptane, 1-methyl-4-(1-methylethyl)-; 1,4-Cineole (natural); 1,4-Cineol; 1,4-Cineole, >=85%;7-oxabicyclo-2.2.1-heptane,1-methyl-4-[1-methylethyl]-;isocineole;1,4-cineole; 1,4-Cineol | C10H18O | 154.25 g/mol | CC(C)C12CCC(O1)(CC2)C |
| TCMBANKIN059492 | (?)-tephrosin | C23H22O7 | 410.4 g/mol | CC1(C=CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4(C3=O)O)OC)OC)C | |
| TCMBANKIN059521 | B- pinene;pinene;T-pinene;(-)-nopinene;beta-pinene;bicyclo[3.1.1]heptane,6,6-dimethyl-2-methylene-,(1s);1-β-pinene;()-beta-Pinene;(-)- β- pinene;laevo- β- Pinene | C10H16 | 136.23 g/mol | CC1(C2CCC(=C)C1C2)C | |
| TCMBANKIN060004 | cadinene | C15H24 | 204.35 g/mol | CC1=CCC2C(C1)C(CC=C2C)C(C)C | |
| TCMBANKIN060264 | rutin | C27H30O16 | 610.5 g/mol | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O | |
| TCMBANKIN060274 | Bisasarcin | C24H32O6 | 416.51 | CC1C(C(C1C2=CC(=C(C=C2OC)OC)OC)C3=CC(=C(C=C3OC)OC)OC)C | |
| TCMBANKIN060456 | bicyclosesquiphellandrene | C15H24 | 204.35g/mol | CC1CCC(C2=CC(=C)CCC12)C(C)C | |
| TCMBANKIN060693 | Sitogluside | C35H60O6 | 576.85g/mol | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C | |
| TCMBANKIN060873 | arachidonic acid | C20H32O2 | 304.5 g/mol | CCCCCC=CCC=CCC=CCC=CCCCC(=O)O | |
| TCMBANKIN060879 | Linolic acid | C18H32O2 | 280.4 g/mol | CCCCCC=CCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060958 | oleic acid;cis-oleic acid;oleinic acid | C18H34O2 | 282.46 | CCCCCCCCC=CCCCCCCCC(=O)O | |
| TCMBANKIN061091 | stearic acid | CH3(CH2)16COOH | 284.5 g/mol | CCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061105 | Eicosanoic acid | C20H40O2 | 312.53 g/mol | CCCCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061711 | Gazarin | 2,4,5-trimethoxybenzaldehyde;PubChem8263; K-8969; NSC-89299; MLS002695891; UNII-NDU8J2Q00D; NSC 89299; NCGC00091253-01; MFCD00003312; Asaraldehyde (Asaronaldehyde); SDCCGMLS-0066425.P001; ST2415708; 2,4,5-Trimethoxybenzaldehyde, 9CI, 8CI; KBio3_001139; 14374-62-0; AN-12166; DB-051236; KB-85563; 2,4,5-Trimethoxy-benzaldehyd; SBB040214; ACMC-1ADV9; NCGC00091253-03; 2,4,5-Trimethoxybenzaldehyde, Vetec(TM) reagent grade, 98%; NSC89299; Spectrum5_000618; HMS3656M12; CCG-38657; DSSTox_CID_2217; MLS006011864; BCP9000230; AK-81441; STK802187; LABOTEST-BB LT00926884; NCGC00091253-07; TIMTEC-BB SBB040214; TRA0030137; CHEMBL1164301; ZINC336939; NCGC00091253-02; AP-065/41884113; TL806230; AKOS BBS-00003175; LS-1267; BG01511388; CS-6035; 3,6-Trimethoxybenzaldehyde; Asaraldehyde; Spectrum_000818; AKOS000119399; F2190-0582; SR-05000002433; SCHEMBL333451; 3,4, 6-Trimethoxybenzaldehyde; DSSTox_GSID_22217; AB1004251; 2,5-Trimethoxybenzaldehyde; ANW-30143; ZB010841; 4CA-0107; BRD-K88219015-001-02-5; Azarylaldehyde; NCGC00091253-05; DSSTox_RID_76523; BBL011033; SMR000112148; LABOTEST-BB LT03381259; Spectrum3_000170; HMS1922P08; AC-4247; KSC236C5N; BSPBio_001639; Spectrum2_000386; DTXSID1022217; CHEBI:113543; HY-100580; NCI-C61632; BG00603133; MLS002473312; 3,4,6-Trimethoxybenzaldehyde; LABOTEST-BB LT03330935; BCP0726000304; ST093686; CTK1D6156; Asarylaldehyde, analytical standard; SPECTRUM200208; InChI=1/C10H12O4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6H,1-3H; KBio2_001298; CAS-4460-86-0; s2531; I01-1219; RTR-017129; PS-6109; 2,4,5-Trimethoxybenzaldheyde; NDU8J2Q00D; AJ-19817; BRN 1951403; Benzaldehyde, 2,4,5-trimethoxy-; 2,4,5-TRIMETHOXYBENZALDEHYDE; KS-00000KKZ; SR-05000002433-1; KBioGR_002238; HMS2268O16; AS02818; LS10199; TR-017129; AC1L2GG7; Gazarin; Acrolein(Propenal); IAJBQAYHSQIQRE-UHFFFAOYSA-N; NCGC00091253-06; RP25437; Tox21_400070; Asaronaldehyde; FT-0609813; Asaraldehyde - Asaronaldehyde; MCULE-7174618286; Spectrum4_001759; AC1Q490G; KBioSS_001298; PARAGOS 530447; KBio2_006434; BCPP000436; MolPort-000-871-193; 60T860; 2,4,5-trimethoxy-benzaldehyde; EINECS 224-713-3; Asarylaldehyde, NSC 89299;4460-86-0; SPBio_000571; 4460-86-0; SC-04555; KBio2_003866; CCRIS 1296; HSDB 4502; Q-100162; 2,4,5-Trimethoxy benzaldehyde; A26620; 4-08-00-02715 (Beilstein Handbook Reference); BB_SC-1446; NCGC00091253-04; AI3-36671; 2,4,5-Trimethoxybenzaldehyde, 98%; Asarylaldehyde;NCI-C61632; ZINC00336939; 3,4,6-Trimethoxybenzaldehyde; Asaraldehyde; Asaronaldehyde; Spectrum_000818; NSC 89299; NCGC00091253-01; SPECTRUM200208; InChI=1/C10H12O4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6H,1-3H; KBio2_001298; SDCCGMLS-0066425.P001; 92133_FLUKA; KBio3_001139; 14374-62-0; Spectrum4_001759; KBioSS_001298; KBio2_006434; BRN 1951403; Benzaldehyde, 2,4,5-trimethoxy-; Azarylaldehyde; 2,4,5-TRIMETHOXYBENZALDEHYDE; NCGC00091253-03; KBioGR_002238; EINECS 224-713-3; Spectrum5_000618; NSC89299; SPBio_000571; AP-065/41884113; 4460-86-0; Spectrum3_000170; KBio2_003866; CCRIS 1296; HSDB 4502; 2,4,5-Trimethoxy benzaldehyde; 4-08-00-02715 (Beilstein Handbook Reference); NCGC00091253-02; BSPBio_001639; ST5213363; 132152_ALDRICH; AI3-36671; Spectrum2_000386;;Asarylaldehyde;asaronaldehyde;2,4,5-Trimethoxybenzaldehyde | C10H12O4 | 196.2 | COC1=CC(=C(C=C1C=O)OC)OC |
| TCMBANKIN061765 | medioresinol | 4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxy-phenol; 4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxyphenol; (–)-Medioresinol; (+)-medioresinol; (+)-Medioresinol di-O-beta-D-glucopyranoside_qt; 40957-99-1 | C21H24O7 | 388.4 g/mol | COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC |
| TCMBANKIN061785 | (?)-dihydroclusin | (2R,3R)-2-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]butane-1,4-diol;NSC332042; (2R,3R)-2-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)butane-1,4-diol; 73149-51-6 | C22H28O7 | 404.5 g/mol | COC1=CC(=CC(=C1OC)OC)CC(CO)C(CC2=CC3=C(C=C2)OCO3)CO |
| TCMBANKIN061787 | (-)-yatein | Dihydroanhydropodorhizol; 2(3H)-Furanone,4-(1,3-benzodioxol-5-ylmethyl)dihydro-3-[(3,4,5-trimethoxyphenyl)methyl]-,(3R-trans)-; (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-2-tetrahydrofuranone; MolPort-035-706-087; AC1L9DHE; (-)-deoxypodorhizone; (3r,4r)-4-(1,3-benzodioxol-5-ylmethyl) dihydro-3-[(3,4,5-trimethoxyphenyl)methyl]-2(3h)-furanone; 2(3H)-Furanone,4-(1,3-benzodioxol-5-ylmethyl)dihydro-3-((3,4,5-trimethoxyphenyl)methyl)-,trans-(-)-; GMLDZDDTZKXJLU-JKSUJKDBSA-N; AKOS032948829; (3R,4R)-4-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one; ZINC1575142; (-)-yatein; Deoxypodorhizone; CHEMBL471067; (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]tetrahydrofuran-2-one; Yatein; DTXSID50193471; 40456-50-6; RD4-6277; BG01688458; AIDS-218539; AIDS218539; SCHEMBL1037807; 2(3H)-Furanone,4-(1,3-benzodioxol-5-ylmethyl)dihydro-3-[(3,4,5-trimethoxyphenyl)methyl]-,(3R,4R)-; D01FBL; (3R,4R)-4-(Benzo[d][1,3]dioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one; W1872; (3R,4R)-4-(1,3-Benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one; (-)-trans-3-(3,4-Methylenedioxybenzyl)-2-(3,4,5-trimethoxybenzyl)butyrolactone; CHEBI:4553; C22H24O7; (3R,4R)-4-(2H-1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one; C10557; (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one; dihydroanhydropodorhizol; BDBM50241524; Deoxypodorhizon; (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)tetrahydrofuran-2-one | C22H24O7 | 400.42 g/mol | COC1=CC(=CC(=C1OC)OC)CC2C(COC2=O)CC3=CC4=C(C=C3)OCO4 |
| TCMBANKIN005122 | ethylamine | C2H5NH2 | 45.08 g/mol | CCN | |
| TCMBANKIN024334 | Arctic acid | 32155-99-0; arctic acid; AIDS373713; arcticacid; AIDS-373713; 5-(5-prop-1-ynyl-2-thienyl)-2-thiophenecarboxylic acid; 5-(5-prop-1-ynyl-2-thienyl)-2-thenoic acid; [2,2'-Bithiophene]-5-carboxylic acid, 5'-(1-propynyl)-; 5-(5-prop-1-ynylthiophen-2-yl)thiophene-2-carboxylic acid; 5-(5-prop-1-ynyl-2-thienyl)thiophene-2-carboxylic acid | C12H8O2S2 | 248.32 | CC#CC1=CC=C(S1)C2=CC=C(S2)C(=O)O |
| TCMBANKIN029758 | Isovaleroxy-hydroxy dihydrovaltrate | isovaleroxy-hydroxy dihydrovaltrate; [1-acetyloxy-4a-hydroxy-6-(3-methylbutanoyloxy)spiro[1,5,6,7a-tetrahydrocyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-methyl-2-(3-methylbutanoyloxy)butanoate; AC1NSX6L | C27H40O11 | 540.67 | CC(C)CC(=O)OC1CC2(C(C13CO3)C(OC=C2COC(=O)C(C(C)C)OC(=O)CC(C)C)OC(=O)C)O |
| TCMBANKIN036186 | formaldehyde | H2CO | 30.026 g/mol | C=O | |
| TCMBANKIN038754 | Arctiin | 4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-oxolanone; 2-(hydroxymethyl)-6-methyloxane-3,4,5-triol; (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]methyl]tetrahydrofuran-2-one; AIDS-002468; (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]methyl]-2-tetrahydrofuranone; (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]methyl]oxolan-2-one; 2(3H)-Furanone, 4-((3,4-dimethoxyphenyl)methyl)-3-((4-(beta-D-glucopyranosyloxy)-3-methoxyphenyl)methyl)dihydro-, (3R-trans)- (9CI); Arctiin (8CI); 2(3H)-Furanone, 4-[(3,4-dimethoxyphenyl)methyl]-3-[[4-(b-D-glucopyranosyloxy)-3-methoxyphenyl]methyl]dihydro-, (3R,4R)-; (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one; AIDS002468; (3R,4R)-4-(3,4-dimethoxybenzyl)-3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-benzyl]tetrahydrofuran-2-one; NSC 315527; ACon1_001261; 4-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methoxy-4-oxidanyl-phenyl)methyl]oxolan-2-one; 2-(hydroxymethyl)-6-methyl-oxane-3,4,5-triol; MEGxp0_000527; A814488 | C27H34O11 | 535 | c1(OC([H])([H])[H])c([H])c(C([H])([H])[C@@]2([H])C(=O)OC([H])([H])[C@]2([H])C([H])([H])c3c([H])c(OC([H])([H])[H])c(O[C@]4([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H]) c([H])c3[H])c([H])c([H])c1OC([H])([H])[H] |
| TCMBANKIN057142 | Ruvoside | UN2330; 1120-21-4; CAS-1120-21-4; LTBB002321; LS-158394; UN 2330; UNII-JV0QT00NUE; DSSTox_CID_1689; AI3-21126; U203; ACMC-209t6p; MolPort-001-783-218; Jsp000912; CCRIS 3796; Undecane [UN2330] [Flammable liquid]; EC 214-300-6; UND; undecyl group; 4-01-00-00487 (Beilstein Handbook Reference); KSC176C3J; Undecane; ANW-42095; 175476-97-8; DSSTox_RID_76285; AC1L23G2; n-Undecane, 99% 50g; Undekan; Undecane, 99%; QSPL 058; 17398EC4-D16F-42F6-8A27-60F8EC075469; BRN 1697099; Undecane, >=99%; TR-002350; InChI=1/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H; UNDECAN-2-YL; MCULE-7319807036; NSC 66159; EINECS 214-300-6; J-002689; RSJKGSCJYJTIGS-UHFFFAOYSA-N; NCGC00254001-01; DTXSID9021689; n-C11H24; U0002; S0283; undecan; DSSTox_GSID_21689; SC-79237; CHEMBL132474; Undecane, analytical standard; JV0QT00NUE; MFCD00008959; Hendekan; HSDB 5791; CH3-[CH2]9-CH3; NCGC00247896-01; C-28174; CC-33184; N-UNDECANE; AKOS005145675; FT-0633353; AN-20593; 61193-21-3; 55101-35-4; KS-00000WJI; NSC66159; NSC-66159; I14-60624; ZINC1693211; Hendecane; Decane, methyl-; n-Hendecane; LMFA11000591; CHEBI:46342; TRA0090240; Undecane [UN2330] [Flammable liquid]; DB-041031; CTK0H6134; RTR-002350; Tox21_300076;LMFA11000001; Tridekan; InChI=1/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H; CH3-[CH2]11-CH3; 629-50-5; 91490_FLUKA; 442713_SUPELCO; HSDB 5727; n-Tridecane; EINECS 211-093-4; NSC66205; T57401_ALDRICH; Tridecane; CHEBI:35998; NSC 66205; TRIDECANE, N-; C13834;Tridekan; UNII-114P5I43UJ component IIYFAKIEWZDVMP-UHFFFAOYSA-N; MCULE-7749861366; U393; DB-054344; Tridecane_GurudeebanSatyavani; ACMC-209t6w; C13H28; C13834; N-TRIDECANE; 757DB156-6441-49B0-A824-1532074AC0F6; NCGC00257175-01; IIYFAKIEWZDVMP-UHFFFAOYSA-N; Tridecane, >=99%; TL8004327; MolPort-003-933-018; LS-157141; AN-22061; STL301147; CAS-629-50-5; tridecan; LMFA11000001; SC-74775; AC1L1ZHL; LTBB002872; DSSTox_CID_7266; C-28190; InChI=1/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H; Tridecane, 99.0%; TRA0008560; I14-59696; KSC353S8D; UNII-FW7807707B component IIYFAKIEWZDVMP-UHFFFAOYSA-N; S0285; Dodecane, methyl-; AKOS016011009; FT-0632663; Tridecane, analytical standard; Alkanes, C12-14; MFCD00008979; UNII-A3LZF0L939; DSSTox_GSID_27266; RT-000404; CHEMBL135694; tridecyl group; KS-00000XDT; ST24031950; HSDB 5727; EINECS 211-093-4; AC1Q28TY; DSSTox_RID_78377; FT-0082500; DTXSID6027266; CC-33178; A3LZF0L939; Tox21_303043; NSC-66205; Tridecane; CH3-[CH2]11-CH3; CTK2F3981; TRD; EC 211-093-4; NSC66205; AK115985; ANW-42102; 629-50-5; CHEBI:35998; NSC 66205; TRIDECANE, N-; ZINC1693738;n-tridecane;TRD | C30H46O9 | [C@]1([H])(OC([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])[H])O[C@@]([H])(O[C@@]2([H])C([H])([H])[C@]3([H])[C@@](C([H])([H])O[H])([C@@]([H])(C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@]([H])( C4=C([H])C(=O)OC4([H])[H])C([H])([H])C5([H])[H])[C@]56O[H])[C@@]6([H])C([H])([H])C3([H])[H])C([H])([H])C2([H])[H])[C@@]1([H])O[H] | |
| TCMBANKIN057919 | 2(R)-(3,4-dimethoxy-phenyl)-propanel,3-diol-l-O-β-D-glucopyranoside | formic acid;fatty acids;FMT;saturated fatty acids;formicacid; methanol peroxide; Dioxirane-3-ol;251364_SIAL; 64-18-6; 27001_RIEDEL; HCOOH; Kyselina mravenci [Czech]; methoic acid; 06473_FLUKA; Spirit of formic acid; Formira; CBX; RCRA waste no. U123; Formylic acid; Methanoic acid; 09676_FLUKA; Formic acid (natural); C1 acid; CCRIS 6039; 49897_FLUKA; 7056-83-9; Kwas metaniowy [Polish]; Bilorin; Myrmicyl; RCRA waste number U123; Ameisensaeure [German]; F0507_SIAL; Collo-didax; EINECS 200-579-1; UN1779; C00058; Add-F; InChI=1/CH2O2/c2-1-3/h1H,(H,2,3; 33015_RIEDEL; 82069-14-5; H-COOH; Collo-bueglatt; LMFA01010040; 94318_FLUKA; AI3-24237; Wonderbond Hardener M 600L; HSDB 1646; Mierenzuur [Dutch]; formic acid; 06450_FLUKA; Sybest; Formic acid solution; FEMA No. 2487; Formisoton; CHEBI:30751; Ameisensaeure; 399388_SIAL; ST5214364; 8006-93-7; Ameisensaure; Formate standard for IC; CARBOXY GROUP; LS-1540; Methanoic acid monomer; Formic acid [UN1779] [Corrosive]; W248703_ALDRICH; Acide formique [French]; Aminic acid; Acido formico [Italian]; 06460_FLUKA; 15907-03-6; Hydrogen carboxylic acid; EPA Pesticide Chemical Code 214900; 56302_FLUKA | HCOOH or CH2O2 | 46.025 g/mol;46.03 | C(=O)O |
| TCMBANKIN058334 | benzene acetaldehyde | benzeneacetaldehyde; HY1; c0210; alpha-Tolyaldehyde; 1-Oxo-2-phenylethane; 107395_ALDRICH; Acetaldehyde,phenyl- (8CI); ZINC00895323; Phenylacetic aldehyde; alpha-Tolualdehyde; NSC406309; alpha-Toluic aldehyde; 2-phenylacetaldehyde; NSC 406309; CHEBI:16424; FEMA No. 2974; 122-78-1; Phenylacetaldehyde solution; .alpha.-Tolualdehyde; W287407_ALDRICH; PHENYLACETALDEHYDE; W287415_ALDRICH; Benzylcarboxaldehyde; .alpha.-Toluic aldehyde; hyacinthin; Acetaldehyde,phenyl-; Phenylethanal; InChI=1/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H; NCIOpen2_003602; AI3-02175; 77800_FLUKA; Phenylacetaldehyde (natural); 2-Phenylethanal; Oxophenylethane; Benzeneacetaldehyde; EINECS 204-574-5; C00601; phenylacetaldehyde; Hyacinthin | C8H8O | 120.15 g/mol | C1=CC=C(C=C1)CC=O |
| TCMBANKIN058664 | (e,z)-1,3,5-tridecatriene-7,9,11-triyne | AC1NS2VD; (3E,5Z)-trideca-1,3,5-trien-7,9,11-triyne; AJWRNFIZKHPOHC-STRRHFTISA-N; (E,Z)-1,3,5-Tridecatriene-7,9,11-triyne;7-Chloro-2,4-quinolinedicarboxylic acid;Trideca-1,3,5-triene-7,9,11-triyne; (3E,5E)-trideca-1,3,5-trien-7,9,11-triyne; (E,E)-1,3,5-Tridecatriene-7,9,11-triyne | C13H10 | 166.22 g/mol | CC#CC#CC#CC=CC=CC=C |
| TCMBANKIN059230 | isovalericacid | LS-2386; ST5213941; Iva; Butanoic acid , 3-methyl-; Butyric acid, 3-methyl-; Kyselina isovalerova [Czech]; W310212_ALDRICH; Isobutyl formic acid; beta-Methylbutyric acid; 92634-50-9; 503-74-2; CHEBI:28484; WLN: QV1Y1&1; EINECS 207-975-3; 3-Methylbutyrate; isovaleric acid; METHYLBUTANOIC ACID; 4-02-00-00895 (Beilstein Handbook Reference); InChI=1/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7; NSC62783; Isovaleric acid (natural); 3-Methylbuttersaeure; Delphinic acid; 129542_ALDRICH; AI3-24132; NSC 62783; Butanoic acid, 3-methyl-, (R)-; FEMA Number: 3102; 3-methyl-butanoic acid; Acetic acid, isopropyl-; Isovaleriansaeure; 3-Methylbutyric acid; C08262; 3,4-Diisovaleryl adrenaline; HSDB 629; Isovalerianic acid; .beta.-Methylbutyric acid; BRN 1098522; 59850_FLUKA; Isopropylacetic acid; LMFA01020181; Isobutylformic acid; FEMA No. 3102; Isovaleric acid; Butanoic acid, 3-methyl-; W310204_ALDRICH; Isopentanoic acid; Isovalerianic; 35915-22-1; 3-Methylbutanoic acid | C5H10O2 | 102.13 g/mol | CC(C)CC(=O)O |
| TCMBANKIN059420 | 1,11 e-tridecadiene-3,5,7,9-tetrayne | C13H8 | CC=CC#CC#CC#CC#CC=C | ||
| TCMBANKIN059421 | (z, z)-1, 3, 11-tridecatriene-5, 7, 9-triyne | C13H10 | 166.22 g/mol | CC=CC#CC#CC#CC=CC=C | |
| TCMBANKIN059452 | ethyl aldehyde | C2H4O | 44.05 g/mol | CC=O | |
| TCMBANKIN060716 | β-hexenol | C6H12O | 100.16 g/mol | CCC=CCCO | |
| TCMBANKIN060787 | (E,E)-(2- hexenoic acid ,2- hexenyl ester | C6H10O2 | 114.14 g/mol | CCCC=CC(=O)O | |
| TCMBANKIN061016 | tridecane | C13H28 | 184.36 g/mol | CCCCCCCCCCCCC | |
| TCMBANKIN061079 | hexahydroaplotaxene | C17H34 | 238.5 g/mol | CCCCCCCCCCCCCCCC=C | |
| TCMBANKIN061511 | arctigenin | AIDS002466; C10545; (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxy-phenyl)methyl]tetrahydrofuran-2-one; arctigenin ; Arctigenin; 41328-87-4; MLS002473154; NCGC00025291-01; MEGxp0_001799; HMS2198I14; Arctigenin, (+)-; (3S,4S)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one; 695QU32V04; SMR001397246; (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one; (3R,4R)-4-(3,4-dimethoxybenzyl)-3-(4-hydroxy-3-methoxy-benzyl)tetrahydrofuran-2-one; 7770-78-7; 26687-78-5; (3R,4R)-4-[(3,4-Dimethoxyphenyl)methyl]dihydro-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2(3H)-furanone; AIDS-002466; ACon1_000416; Tocris-1777; (−)-Arctigenin; DTXSID50233381; UNII-2FD8L150E7 component NQWVSMVXKMHKTF-CVEARBPZSA-N; 2(3H)-Furanone, 4-((3,4-dimethoxyphenyl)methyl)dihydro-3-((4-hydroxy-3-methoxyphenyl)methyl)-, (3R-trans)-; (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-tetrahydrofuranone; (-)-Arctigenin; UNII-695QU32V04; 2(3H)-Furanone, 4-((3,4-dimethoxyphenyl)methyl)dihydro-3-((4-hydroxy-3-methoxyphenyl)methyl)-, (3S-trans)-; A1854_SIGMA; Arctigenen; 84413-77-4; Arctigenin, trans-(+)-; (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxy-phenyl)methyl]oxolan-2-one; (+)-Arctigenin; 2(3H)-Furanone, 4-((3,4-dimethoxyphenyl)methyl)dihydro-3-((4-hydroxy-3-methoxyphenyl)methyl)-, (3S,4S)-; ZINC899931; 2(3H)-Furanone, 4-((3,4-dimethoxyphenyl)methyl)dihydro-3-((4-hydroxy-3-methoxyphenyl)methyl)-, (3R,4R)-; CHEMBL369142; (-)-arctigenin | C21H24O6 | 372.4 g/mol | COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)O)OC)OC |
| TCMBANKIN002962 | onopordopicrin | C19H24O6 | 348.4 g/mol | CC1=CCCC(=CC2C(C(C1)OC(=O)C(=C)CO)C(=C)C(=O)O2)CO |
植物对应的疾病
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植物对应的靶点
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