Plant Summary
Plant Information
TCMBank_ID: | TCMBANKHE008071 |
YEM_ID: | YEM-274 |
ID: | TCMBANKHE008071/YEM-274 |
植物拉丁名: |
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功能与主治: | To promote diuresis and treat stranguria/Heat strangury, stone strangury, blood strangury, inhibited urination [=dysuria], edema, white turbidity, vaginal discharge, hepatitis, diarrhea, dysentery, common cold with fever, cough and asthma, swelling pain in throat, mouth sore, red eyes with gall, mumps, mammary welling abscess, erysipelas, zoster, burns and scalds, itchy skin, wound swelling from knocks and falls, wind-damp impediment pain, bleeding due to external injury. |
药用植物名: | 海金沙 |
药名: | 海金沙 |
来源: | 云南民族药物志：第二卷 |
药用部位: | aerial parts |
使用民族: | 阿昌族/白族/傣族/德昂族/哈尼族/基诺族/景颇族/拉祜族/傈僳族/彝族/藏族 |
药味: | Cold; Sweet |
经络: | Bladder; Small Intestine |
临床特征: | Its 50% decoction inhibits the growth of Staphylococcus aureus, Bacillus typhoid, Pseudomonas aeruginosa and Bacillus coli. |
治疗类型: | 利水渗湿药 |
TCM_ID_id: | 4783 |
SymMap_id: | 157 |
TCMSP_id: | 308 |
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 |
|---|
| TCMBANKIN000873 | kaempferol-3-O-α-L-rhamnopyranose-7-O-α-L-rhamnopyranoside | ||||
| TCMBANKIN003303 | Tricine | NSC369995; T5816_SIGMA; 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]ethanoic acid; 5704-04-1; EINECS 227-193-6; NSC 369995; AI3-62523; N-Tris(hydroxymethyl)methylglycine; T0377_SIGMA; CHEBI:39063; N-(Tri(hydroxymethyl)methyl)glycine; N-[Tris(hydroxymethyl)methyl]glycine; 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid; ST5308629; Glycine, N-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)-; 93356_FLUKA; N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]glycine; T1074_SIGMA; 2-[(2-hydroxy-1,1-dimethylol-ethyl)amino]acetic acid; 2-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]acetic acid; T9784_SIGMA | C6H13NO5 | 179.17 g/mol | C(C(=O)O)NC(CO)(CO)CO |
| TCMBANKIN003549 | acacetin7-O-(6′′-O-α-L-rhamnopyranosyl)-β-sophoroside | ||||
| TCMBANKIN003926 | 1-Undecyne | 102681-76-5; NSC 87633; NCIOpen2_001194; undec-1-yne; 1-C11H20; SBB009004; NSC87633; EINECS 218-825-1; 2243-98-3 | C11H20 | 152.28 | CCCCCCCCCC#C |
| TCMBANKIN007952 | 6,10,14-trimethyl-2-pentadecene | 252.54 | |||
| TCMBANKIN008204 | Anti-squalene | ||||
| TCMBANKIN009007 | 1-OCTYNE | 32073-03-3; BRN 1734494; 74970_FLUKA; 244465_ALDRICH; oct-1-yne; InChI=1/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H; 629-05-0; EINECS 211-069-3; Hexylacetylene; 4-01-00-01034 (Beilstein Handbook Reference) | C8H14 | 110.2 | CCCCCCC#C |
| TCMBANKIN009009 | di(2-ethylhexyl)phthalat | ||||
| TCMBANKIN009044 | Dicetyl phosphate | C32H67O4P | 546.8 g/mol | CCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCC | |
| TCMBANKIN009716 | ZINC01592387 | (3R)-2-methylpent-1-en-3-ol | C56H93N19O25 | 1432.45 | |
| TCMBANKIN010540 | vinenin | ||||
| TCMBANKIN012176 | amaranthin | C30H34N2O19 | 726.59 | C1C(NC(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C(=O)[O-])C(=O)O)C(=O)O | |
| TCMBANKIN012686 | o-Anisaldehyde | ZINC01090557; BRN 0606301; 2-Anisaldehyde; NSC58960; ST5213390; Benzaldehyde, 2-methoxy-; AI3-01375; EINECS 205-171-7; 4-08-00-00180 (Beilstein Handbook Reference); 109622_ALDRICH; Formylanisole, o-; 2-Methoxybenzaldehyde; 64770_FLUKA; 135-02-4; o-Methoxybenzaldehyde; NSC 58960; 2-Methoxyphenylformaldehyde; InChI=1/C8H8O2/c1-10-8-5-3-2-4-7(8)6-9/h2-6H,1H; 6-Methoxybenzaldehyde; 2-Methoxybenzenecarboxaldehyde; Salicylaldehyde methyl ether; Benzaldehyde, o-methoxy- | C8H8O2 | 136.15 | COC1=CC=CC=C1C=O |
| TCMBANKIN013856 | 2H-pyan-2,6(3H)-dione | ||||
| TCMBANKIN014685 | 3,4-dihydroxybenzoic acid ether | ||||
| TCMBANKIN015668 | METHYL HEPTACOSANOATE | Heptacosanoic acid, methyl ester; H6639_SIGMA; heptacosanoic acid methyl ester; 55682-91-2 | C28H56O2 | 424.74 | CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC |
| TCMBANKIN016802 | (24S)-24-methyl-5α-cholest-7 , 16-dene-3β-ol | ||||
| TCMBANKIN017221 | linoleic acid | (9E,12E)-octadeca-9,12-dienoate; AC1NYW3V; sodium (9E,12E)-octadeca-9,12-dienoate; BDBM22336; 9,12-octadecadienoate; linoleicacid | C18H31O2- | 279.4 g/mol | CCCCCC=CCC=CCCCCCCCC(=O)[O-] |
| TCMBANKIN018825 | tricin7-O-β-D-glucopyranoside | ||||
| TCMBANKIN018901 | kaempferol-7-O-α-L-rhamnopyranoside | ||||
| TCMBANKIN021166 | Twenty-seven methyl ester | ||||
| TCMBANKIN021199 | Oleic acid hydroxyethyl acrylate | ||||
| TCMBANKIN021680 | N-dodecyl | C25H46ClNO2 | CCCCCCCCCCCC[N+](CC1=CC=CC=C1)(CC(C)O)CC(C)O.[Cl-] | ||
| TCMBANKIN021943 | (3R)-3-methylpentan-1-ol | ZINC02034637 | C6H14O | 102.17 | |
| TCMBANKIN024340 | ZINC02017307 | (6S)-2,6-dimethyloct-7-en-2-ol | 156.3 | ||
| TCMBANKIN024511 | kaempoferitrin | ||||
| 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 |
| TCMBANKIN026138 | Isosorbide dinitrate | C6H8N2O8 | 236.14 g/mol | C1C(C2C(O1)C(CO2)O[N+](=O)[O-])O[N+](=O)[O-] | |
| TCMBANKIN026694 | 2,4-Hexadiene, 3,4-dimethyl-, (E,Z)- | (2E,4Z)-3,4-dimethylhexa-2,4-diene; 2417-88-1; (E),(Z)-(CH3CH=C(CH3))2 | C8H14 | 110.2 | CC=C(C)C(=CC)C |
| TCMBANKIN031122 | daucostero1 | ||||
| TCMBANKIN032128 | Isopropyl alcohol cedar | ||||
| TCMBANKIN034708 | makisterone C | C29H48O7 | 508.7 g/mol | CCC(CC(C(C)(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O)O)C(C)(C)O | |
| TCMBANKIN034814 | N heneicosanoic | ||||
| TCMBANKIN035089 | lygodin | ||||
| TCMBANKIN036539 | Ethyl oleate (NF) | ethyl (Z)-octadec-9-enoate; (Z)-octadec-9-enoic acid ethyl ester; 75100_FLUKA; 268011_ALDRICH; Oleic acid ethyl ester; 75101_FLUKA; D04090; 317675_ALDRICH | C20H38O2 | 310.51 | CCCCCCCCC=CCCCCCCCC(=O)OCC |
| TCMBANKIN036746 | [(2R)-2,3-dihydroxypropyl] (Z)-octadec-9-enoate | (Z)-octadec-9-enoic acid [(2R)-2,3-dihydroxypropyl] ester | C21H40O4 | 356.54 | |
| TCMBANKIN036804 | acacetin | Linarigenin; KBio2_000595; AIDS014771; SPECTRUM200499; 480-44-4; Acaceztin; 4'-Methoxy-5,7-dihydroxyflavone; Akatsetin; A827453; KBio1_000878; 5,7-Dioxy-4'-methoxyflavone; Apigenin 4'-dimethyl ether; NSC76061; CHEBI:15335; Prestwick1_000695; Spectrum_000135; 5,7-dihydroxy-2-(4-methoxyphenyl)-4-chromenone; NINDS_000878; 00017_FLUKA; ZINC00005600; Acacetin; AIDS-014771; WLN: T66 BO EVJ CR DO1& GQ IQ; Acacetine; IDI1_000878; Flavone, 5,7-dihydroxy-4'-methoxy- (8CI); 5,7-Dihydroxy-2-(4-methoxyphenyl)-4-benzopyrone; Prestwick0_000695; NSC 76061; Spectrum5_000930; SPBio_002770; CHEBI:57284; KBioSS_000595; Prestwick_49; NCGC00095213-03; BCBcMAP01_000082; NCGC00016458-01; KBio2_003163; BPBio1_000935; Prestwick2_000695; KBio2_005731; ACAETIN; SMP1_000001; Apigenin 4'-methyl ether; DivK1c_000878; 7-hydroxy-2-(4-methoxyphenyl)-4-oxo-1-benzopyran-5-olate; Prestwick3_000695; 5,7-dihydroxy-2-(4-methoxyphenyl)chromone; 5,7-Dihydroxy-4'-methoxyflavone; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-methoxyphenyl)-; 5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one; BRN 0277879; Flavone, 5,7-dihydroxy-4'-methoxy-; 2-(4-methoxyphenyl)-7-oxidanyl-4-oxidanylidene-chromen-5-olate; C01470; CAS-480-44-4; Buddleoflavonol; NCGC00095213-01; Linarisenin; EINECS 207-552-3; 5-18-04-00575 (Beilstein Handbook Reference); NCGC00095213-02; ST066889; BSPBio_000849; Apisenin 4'-methyl ether; acacetin ; 5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-olate; 4'-Methoxyapigenin; 5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one | C16H12O5 | 284.263 | c1([H])c(OC(c2c([H])c([H])c(OC([H])([H])[H])c([H])c2[H])=C([H])C3=O)c3c(O[H])c([H])c1O[H] |
| 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 |
| TCMBANKIN036880 | diosmin | 520-27-4; C10039; 5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one; 4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-.alpha.-L-mannopyranosyl)-.beta.- D-glucopyranosyl)oxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-; Diosmin [INN]; Diosmetin 7-O-rutinoside; AIDS059330; Diosmine [INN-French]; 5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxymethyl]oxan-2-yl]oxy-chromen-4-one; Diosminum [INN-Latin]; 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]-4-chromenone; AIDS-059330; Diosmin [INN-Spanish]; 4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-; 5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromone; CCRIS 7915; SMP1_000183; EINECS 208-289-7; 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one; D3908; diosmin ; Diosmin; STOCK1N-14729 | C28H32O15 | 608.5 g/mol | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)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] |
| TCMBANKIN036917 | apigenin | 520-36-5; Spectrum2_000428; 10798_FLUKA; Biochem Biophys Res Comm 212: 767 (1997); CCRIS 3789; AIDS001401; apigenin-7-olate; KBioGR_002565; KBio3_002887; BSPBio_000368; 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; HSCI1_000221; Flavone, 4',5,7-trihydroxy-; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-; EINECS 208-292-3; A3145_SIGMA; 7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-5-olate; CHEBI:18388; IDI1_000798; NCGC00025057-04; AIDS-001401; NSC 83244; BPBio1_000406; Apigenol; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromenone; NINDS_000798; NCGC00015049-02; 4′,5,7-Trihydroxyflavone; SPBio_002307; Prestwick_719; 2-(4-hydroxyphenyl)-7-oxidanyl-4-oxidanylidene-chromen-5-olate; Spectrum4_001999; Chamomile; KBio1_000798; BRN 0262620; Prestwick2_000414; Prestwick3_000414; SDCCGMLS-0066379.P001; CHEBI:58470; 5,7, 4'-trihydroxyflavone; NCGC00025057-02; 2-(p-Hydroxyphenyl)-5,7-dihydroxychromone; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; APIGENIN; Lopac0_000065; K00045; 4′,5,7-Trihydroxyflavone; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone; NCGC00025057-09; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; ACon1_002450; Oprea1_622293; EU-0100065; nchembio790-comp26; 4',5,7-Trihydroxyflavone; NCGC00025057-08; ND-9076; NCGC00025057-01; MEGxp0_000176; Apigenin; 4',5,7-Trihydroxyflavone; apigenin ; Prestwick1_000414; NCGC00015049-01; ZINC00004495; NCGC00025057-05; Spectrum3_001882; BiomolKI_000078; NCI60_041830; Bio1_001354; ghl.PD_Mitscher_leg0.1194; SPECTRUM200846; A828903; DivK1c_000798; 5-18-04-00574 (Beilstein Handbook Reference); 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate; C.I. Natural Yellow 1; 461015-54-3; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)- (9CI); 5,7-dihydroxy-2-(4-hydroxyphenyl)chromone; SMP2_000338; BiomolKI2_000082; Prestwick0_000414; Tocris-1227; Lopac-A-3145; Bio1_000865; NSC83244; Versulin; Pelargidenon 1449; Bio1_000376; Spigenin; 5,7,4'-Trihydroxyflavone; ST056301; UCCF 031; SPBio_000416; Apigenine; C01477; CAS-520-36-5; BSPBio_003384 | C15H10O5 | 270.24 | C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
| TCMBANKIN039554 | hexanoic acid | (C6-C12) Alkylcarboxylic acid; n-Hexoic acid; BRN 0773837; Hexanoyl DL-carnitine; AC1O52RE; hexanoicacid; 142-62-1; Hexanoic acid (natural); n-Hexanoic acid; CCRIS 1347; Hexacid 698; 153745_ALDRICH; Hexanoic acid; 13476-79-4; 8040-17-3; 51109-46-7; AI3-07701; WLN: QV5; VVPRQWTYSNDTEA-UHFFFAOYSA-N; 19455-00-6; (C5-C9) Monobasic acids; Pentylformic acid; Hexanoyl-d,l-carnitine; Capronic acid; Butylacetic acid; Kyselina kapronova [Czech]; 4-02-00-00917 (Beilstein Handbook Reference); C01585; 1-Pentanecarboxylic acid; UN2829; 3-hexanoyloxy-4-(trimethylazaniumyl)butanoate; Fatty acids, C6-12; (C6-C12)Alkylcarboxylic acid; W255912_ALDRICH; NSC8266; CAPROIC ACID; CH3-[CH2]4-COOH; LMFA01010006; HEXANOIC ACID (CAPROIC ACID); n-Caproic acid; EINECS 267-013-3; CHEBI:30776; Hexanoylcarnitine; 68603-84-9; 70248-25-8; 21529_FLUKA; HSDB 6813; 3-(hexanoyloxy)-4-(trimethylazaniumyl)butanoate; Carboxylic acids, C5-9; NSC 8266; NCIOpen2_005355; LMFA07070070; 1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-[(1-oxohexyl)oxy]-, chloride (1:1); EINECS 205-550-7; SCHEMBL235082; 1-Hexanoic acid; Pentanecarboxylic acid; Acid C-6; Carboxylic acids, C6-18 and C6-18-unsatd. mono- and C8-15-di-; H12137_ALDRICH; W255904_ALDRICH; 16571-42-9; Hexylic acid; AIDS212980; Caproic acid [UN2829] [Corrosive]; FEMA No. 2559; 67762-36-1; n-Hexylic acid; Hexoic acid; Pentiformic acid; EINECS 274-509-3; 6418-78-6; AIDS-212980; 53896-26-7; CTK4C6070; EINECS 271-676-4; Hexanoic acid ester with (3-carboxy-2-hydroxypropyl)trimethylammonium hydroxide inner salt; CHEBI:70749; InChI=1/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8; O-hexanoylcarnitine; 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[(1-oxohexyl)oxy]-, inner salt; 3-(hexanoyloxy)-4-(trimethylammonio)butanoate | C6H12O2 | 116.158 | C(O[H])(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] |
| 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 |
| TCMBANKIN043270 | p-Coumaric acid | CHEBI:32373; Para-Coumaric acid; ZB001183; trans-4-Hydroxycinnamic acid; (E)-3-(4-Hydroxyphenyl)-2-propenoic acid; 2-propenoic acid, 3-(4-hydroxyphenyl)-, (2E)-; Naringeninic acid; p-Cumaric acid; CHEBI:36090; p-Coumaric acid,trans; 501-98-4; (E)-3-(4-hydroxyphenyl)acrylic acid; trans-4-coumarate; 4'-Hydroxycinnamic acid; 4-(2-Carboxyethenyl)phenolate; HC4; trans-4-hydroxycinnamate; trans-p-Coumarinic acid; 4-hydroxycinnamate anion; 3-(4-hydroxyphenyl)acrylic acid; (2E)-3-(4-hydroxyphenyl)prop-2-enoic acid; 3-(4-hydroxyphenyl)prop-2-enoate; trans-p-Hydroxycinnamic acid; (E)-3-(4-hydroxyphenyl)prop-2-enoate; (E)-p-Hydroxycinnamic acid; 3-(4-hydroxyphenyl)acrylate; trans-4-coumaric acid; trans-p-Coumaric acid; (2E)-3-(4-hydroxyphenyl)acrylate; 4-10-00-01005 (Beilstein Handbook Reference); C00811; (2E)-3-(4-hydroxyphenyl)acrylic acid; BRN 2207383; CHEBI:12876; beta-(4-Hydroxyphenyl)acrylic acid; Para coumaric acid; COUMARATE; MLS001066419; 28200_FLUKA; p-Hydroxyphenylacrylic acid; Cinnamic acid, p-hydroxy-; 4-Coumaric acid; InChI=1/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12; 7400-08-0; beta-[4-hydroxyphenyl]acrylic acid; A828008; p-coumaricacid; SBB007613; 4-Hydroxycinnamate; Cinnamic acid, p-hydroxy-, (E)-; SMR000112201; 0-10-00-00297 (Beilstein Handbook Reference); CINNAMIC ACID,4-HYDROXY P-COUMARIC ACID; (E)-p-Coumaric acid; AIDS027710; CJ-00262; (2E)-3-(4-hydroxyphenyl)prop-2-enoate; 2-Propenoic acid, 3-(4-hydroxyphenyl)-; ZINC00039811; .beta.-[4-Hydroxyphenyl]acrylic acid; p-coumaric acid ; AC1NRBN2; InChI=1/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3; trans-p-coumarate; (E)-3-(4-hydroxyphenyl)prop-2-enoic acid; 4-Oxylatocinnamate; p-Hydroxycinnamic acid; HYDROXYCINNAMIC ACID; EINECS 231-000-0; BRN 2207381; NSC 674321; Enamine_005378; 4-Hydroxycinnamic acid; CHEBI:32374; NSC674321; AIDS-027710; 2-Propenoic acid, 3-(4-hydroxyphenyl)-, (E)- (9CI); NSC59260; p-coumarate; (E)-3-(4-hydroxyphenyl)-2-propenoate; C9008_SIGMA; 3-(4-Hydroxyphenyl)-2-propenoic acid; 3-(4-hydroxyphenyl)prop-2-enoic acid; 4-coumarate; NSC 59260 | C9H8O3 | 164.158 | c1([H])c([H])c(O[H])c([H])c([H])c1\C([H])=C([H])\C(=O)O[H] |
| TCMBANKIN049148 | beta-ionone | (E)-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-one; (Z)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one; BB_NC-0321; 4-(2,6,6-Trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one; NSC 402758; beta-Cyclocitrylideneacetone; SCHEMBL813343; AIDS-032326; AIDS032326; EINECS 238-969-9; 4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-one; .beta.-Cyclocitrylideneacetone; 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one; W259500_ALDRICH; 4-(2,6,6-Trimethyl-1-cyclohexen-l-yl)-3-buten-2-one; NSC46137; WLN: L6UTJ A1U1V1 B1 F1 F1; e-4-(2,6,6-trimethyl-cyclohexyl)-but-3-en-2-one; LS-871; EINECS 252-325-4; YJRODKCOICMRBO-BQYQJAHWSA-N; LS-47337; 35031-06-2; ST5306954; trans-.beta.-Ionone; 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E); IONONE, BETA; EINECS 252-912-5; β- Ionone; 58180_FLUKA; (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one; 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one; .beta.-Ionone isomer # 1; C12287; NSC402758; (3E)-4-(2,2,6-TRIMETHYLCYCLOHEXYL)BUT-3-EN-2-ONE; 14901-07-6; 4-(2,6,6-Trimethyl-2(1)-cyclohexen-1-yl)-3-buten-2-one; .beta.-Ionone isomer # 2; SCHEMBL813341; Dihydroionone; ZINC03881456; AC1O5BV0; Ionone, .beta.-; 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-; CCRIS 6249; (E)-4-(2,2,6-trimethylcyclohexyl)but-3-en-2-one; 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-; I12603_ALDRICH; InChI=1/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7; β-ionone; W259519_ALDRICH; .beta.-Ionone; beta-Ionone; 79-77-6; 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-; .beta.-Ionene; 4-(2,2,6-Trimethylcyclohexyl)-3-buten-2-one; 36208-32-9 | C13H20O | 192.297 | C1([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C(\C([H])=C([H])\C(=O)C([H])([H])[H])=C(C([H])([H])[H])C([H])([H])C1([H])[H] |
| TCMBANKIN057963 | succinic acid | NCGC00159372-02; AIDS017693; Bernsteinsaure; succ; nchembio856-comp9; SIN; Butanedioic acid diammonium salt; InChI=1/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8; Bernsteinsaeure; ST5213944; nchembio.2007.47-comp2; 4-02-00-01908 (Beilstein Handbook Reference); 623158-99-6; LMFA01170043; BRN 1754069; butanedioic acid; Succinic acid (8CI); acide butanedioique; Dihydrofumaric acid; Katasuccin; 110-15-6; WLN: QV2VQ; FMR; AI3-06297; EINECS 203-740-4; Kyselina jantarova [Czech]; Amber acid; 398055_SIAL; 1,4-Butanedioic acid; S3674_SIAL; succinicacid; Ethylene dicarboxylic acid; 1,4-BUTANEDIOIC ACID (SUCCINIC ACID); S7501_SIAL; NSC25949; Bernsteinsaure [German]; acide succinique; NSC 106449; HOOC-CH2-CH2-COOH; Butandisaeure; 1,2-Ethanedicarboxylic acid; Acidum succinicum; Asuccin; C00042; Wormwood acid; ethylenesuccinic acid; Wormwood; 14078_FLUKA; Butanedionic acid; NSC106449; W502707_ALDRICH; W502715_ALDRICH; NCGC00159372-03; AIDS-017693; spirit of amber; A 12084; CHEBI:15741; Butanedioic acid (9CI); S9512_SIGMA; 14079_FLUKA; HSDB 791; Amber acid; amber acid | C4H6O4 | 118.09 g/mol | C(CC(=O)O)C(=O)O |
| 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 |
| TCMBANKIN058117 | 1-O-(E)-caffeoyl-β-D-gentiobiose | C21H28O14 | C1=CC(=C(C=C1C=CC(=O)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)O | ||
| TCMBANKIN058121 | 6'-o-caffeoylerigeroside | 1-(2'-γ-pyranone)-6-caffeoyl-α-d-pyranoglucose | C20H20O11 | 436.4 g/mol | C1=CC(=C(C=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=COC=CC3=O)O)O)O)O)O |
| TCMBANKIN058196 | 4-hydroxy cinnamic acid;trans- p- hydroxy cinnamic acid;trans-p-coumaric acid;p-cumaric acid;4-coumaric acid;P-hydroxy- cinnamic acid;Hydroxycinnamic acid | 4-hydroxycinnamic acid;trans-p-Hydroxycinnamic acid; Trans-p-hydroxy cinnamic acid;AS03322; I01-9546; I01-9648; Para-Coumaric acid; trans-p-Hydroxycinnamate; UNII-IBS9D1EU3J; 4-Hydroxycinamic acid; AK134594; AM20050138; trans-4-Hydroxycinnamic acid; Hydroxycinnamic acid; p-Coumaric acid, primary pharmaceutical reference standard; (E)-3-(4-Hydroxyphenyl)-2-propenoic acid; beta-[4-Hydroxyphenyl]acrylic acid; MP-2217; BP-13278; F2191-0188; IBS9D1EU3J; p-coumaric-acid; STL163567; BG00601173; 2-propenoic acid, 3-(4-hydroxyphenyl)-, (2E)-; 50940-26-6; TR-023948; p-Cumarate; Naringeninic acid; p-Cumaric acid; NCGC00246974-01; (E)-3-(4-Hydroxyphenyl)acrylic acid; CHEBI:36090; AS-12000; N1817; p-Coumaric acid,trans; TL8005115; 501-98-4; bmse010208; bmse000150; TIMTEC-BB SBB007613; DTXSID6064660; p-coumaric acid; NSC-674321; SCHEMBL39106; AKOS 221-47; AC1Q71H0; bmse000591; p-Coumaric acid, trans; MolPort-000-860-894; AE-562/40414679; COUMARIC ACID, TRANS-P-; 4-coumaric acid, (E)-isomer; trans-4-hydroxycinnamate; trans-p-Coumarinic acid; 3-(4-Hydroxyphenyl)-2-propenoate; (E)-3-(4-HYDROXY-PHENYL)-ACRYLIC ACID; LS30305; 3-(4-hydroxyphenyl)acrylic acid; (2E)-3-(4-hydroxyphenyl)prop-2-enoic acid; hydroxycinnamate; 4'-Hydroxycinnamate; SC-25929; trans-p-Hydroxycinnamic acid; (E)-p-Hydroxycinnamic acid; 3-(4-hydroxyphenyl)acrylate; PubChem24323; LS-54111; NGSWKAQJJWESNS-ZZXKWVIFSA-N; trans-4-coumaric acid; trans-p-Cumaric Acid; trans-p-Coumaric acid; AKOS BAR-2479; RTR-023948; RP09062; ZINC39811; 4-10-00-01005 (Beilstein Handbook Reference); 0C1BFF2D-2CF7-4FC1-9F76-3268C2C7F783; LS-54112; C00811; (2E)-3-(4-hydroxyphenyl)acrylic acid; ST2402517; Cinnamic acid, 4-hydroxy-, trans-; BG01501541; 4qem; BDBM4374; HMS1409E10; BRN 2207383; SC-65982; I04-0102; C9H8O3; (E)-3-[4-hydroxyphenyl]-2-propenoic acid; ATTERCOP-CHM AT113965; beta-(4-Hydroxyphenyl)acrylic acid; Para coumaric acid; BCP9001042; MLS001066419; p-Hydroxyphenylacrylic acid; Cinnamic acid, p-hydroxy-; RARECHEM BK HW 0163; 4-Coumaric acid; CS-W020394; TR-017943; p-Coumaric acid, >=98.0% (HPLC); (2E)-3-(4-Hydroxyphenyl)-2-propenoic acid; b-[4-Hydroxyphenyl]acrylate; Q-100560; 7400-08-0; BB_NC-2249; RP17402; BBL012226; AK-26304; W-104438; D0AU0M; p-hydroxycinnamic acid (M4); 2-Propenoic acid, 3-(4-hydroxyphenyl)-, homopolymer; SBB007613; 4-Hydroxycinnamate; ZX-AT011614; Cinnamic acid, p-hydroxy-, (E)-; p-Caumaric acid dehydrogenation homopolymer; SMR000112201; 4f8j; 0-10-00-00297 (Beilstein Handbook Reference); (E)-p-Coumaric acid; 4CN-0926; p-Hydroxycinnamate; (E)-4-hydroxycinnamic acid; 2-Propenoic acid, 3-(4-hydroxyphenyl)-; DB04066; trans-p-Coumaric acid, analytical standard; 2-Propenoic acid, 3-(4-hydroxyphenyl)-, (Z)-; .beta.-[4-Hydroxyphenyl]acrylic acid; p-Coumaricacid; AJ-08911; p-Hydroxy-cinnamic acid; 4-Hydroxy cinnamate; AC1LCUFZ; AKOS000120685; BR-26304; InChI=1/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3; Para coumarate; trans-p-coumarate; 4-Hydroxyphenylpropenoate; P-HYDROXYL CINNAMIC ACID; OTAVA-BB 7020400347; AC-10318; (E)-3-(4-hydroxyphenyl)prop-2-enoic acid; AN-287; LABOTEST-BB LT03329617; p-Hydroxycinnamic acid; MolPort-004-288-351; EINECS 231-000-0; p-Hydroxycinnamic acid, trans; KB-72564; TC-164240; BRN 2207381; 2-Propenoic acid, 3-(4-hydroxyphenyl)-, (E)-; ST24022578; 4-hydroxy cinnamic acid; NSC 674321; LABOTEST-BB LT00452637; Para-Coumarate; (2E)-3-(4-Hydroxyphenyl)-2-propenoic acid #; b-[4-Hydroxyphenyl]acrylic acid; 4'-hydroxycinnamic acid; beta-[4-Hydroxyphenyl]acrylate; NSC-59260; PubChem8247; 4-Hydroxycinnamic acid; CHEMBL66879; CHEBI:32374; BG01501540; NSC674321; RTR-017943; 2-Propenoic acid, 3-(4-hydroxyphenyl)-, (E)- (9CI); NSC59260; 400H080; AX8022446; 3-(4-Hydroxyphenyl)-2-propenoic acid; AC1Q5T95; 3-(4-hydroxyphenyl)prop-2-enoic acid; ST093691; GTPL5787; 4-coumarate; MFCD00004399; NSC 59260;p-hydroxy-cinnamic acid;p- hydroxycinnam icacid; p-hydroxycinnami cacid; p-hydroxy cinnamic acid; p-hydroxycinnamic acid | C9H8O3 | 164.16 g/mol | C1=CC(=CC=C1C=CC(=O)O)O |
| TCMBANKIN058198 | p-coumaric acid glucosyl ester | 6-O-p-coumaroyl-D-glucopyranose; [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate; [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate; ACon1_001353; (E)-3-(4-hydroxyphenyl)prop-2-enoic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl] ester; (E)-3-(4-hydroxyphenyl)acrylic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] ester | C15H18O8 | 326.3 g/mol | C1=CC(=CC=C1C=CC(=O)OC2C(C(C(C(O2)CO)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 |
| TCMBANKIN058215 | kaempferol-3-o-beta-d-glucoside | kaempferol-3-O-β-D-glucopyranoside;Kaempferol-3-glucoside;astragalin;Kaempferol-3-o- glucoside;kaempferol 3-glucoside;Kaempferol 3-O-glucoside;kaempferol-3-o-glucoside;5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl beta-D-glucopyranoside; Kaempferol-3-O-.beta.-D-glucopyranoside; Kaempferol-3-beta-glucopyranoside; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; NCGC00163580-01; 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-; Astragaline; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; Kaempferol-3-D-glucoside; 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; MEGxp0_000168; Kaempferol-3-beta-monoglucoside; Kaempferol-3-O-glucoside; 3,4',5,7-Tetrahydroxyflavone-3-glucoside; 480-10-4; ACon1_001224; SCHEMBL23898; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; AIDS-051935; AIDS051935; CHEBI:30200; LMPK12111725; Kaempferol 3-O-beta-D-glucopyranoside; C12249; Astragalin; Kaempferol 3-O-glucoside; Kaempferol 3-glucoside; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; Kaempferol 3-O-beta-D-glucoside; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone;kaempferol-3-β-D-glucopyranoside;Kaempferol-3-O-β-D- glucopyranoside; kaempferol-3-o-beta-d-glucopyranoside;kaempferol-3-O-β-D-glucoside; Kaempferol-3-o-β-D- glucoside; Kaempferol- 3-O-β-D-glucoside | C21H20O11 | 448.38 | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O |
| TCMBANKIN058221 | apigenin | 520-36-5; Spectrum2_000428; 10798_FLUKA; Biochem Biophys Res Comm 212: 767 (1997); CCRIS 3789; AIDS001401; apigenin-7-olate; KBioGR_002565; KBio3_002887; BSPBio_000368; 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; HSCI1_000221; Flavone, 4',5,7-trihydroxy-; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-; EINECS 208-292-3; A3145_SIGMA; 7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-5-olate; CHEBI:18388; IDI1_000798; NCGC00025057-04; AIDS-001401; NSC 83244; BPBio1_000406; Apigenol; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromenone; NINDS_000798; NCGC00015049-02; 4′,5,7-Trihydroxyflavone; SPBio_002307; Prestwick_719; 2-(4-hydroxyphenyl)-7-oxidanyl-4-oxidanylidene-chromen-5-olate; Spectrum4_001999; Chamomile; KBio1_000798; BRN 0262620; Prestwick2_000414; Prestwick3_000414; SDCCGMLS-0066379.P001; CHEBI:58470; 5,7, 4'-trihydroxyflavone; NCGC00025057-02; 2-(p-Hydroxyphenyl)-5,7-dihydroxychromone; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; APIGENIN; Lopac0_000065; K00045; 4′,5,7-Trihydroxyflavone; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone; NCGC00025057-09; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; ACon1_002450; Oprea1_622293; EU-0100065; nchembio790-comp26; 4',5,7-Trihydroxyflavone; NCGC00025057-08; ND-9076; NCGC00025057-01; MEGxp0_000176; Apigenin; 4',5,7-Trihydroxyflavone; apigenin ; Prestwick1_000414; NCGC00015049-01; ZINC00004495; NCGC00025057-05; Spectrum3_001882; BiomolKI_000078; NCI60_041830; Bio1_001354; ghl.PD_Mitscher_leg0.1194; SPECTRUM200846; A828903; DivK1c_000798; 5-18-04-00574 (Beilstein Handbook Reference); 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate; C.I. Natural Yellow 1; 461015-54-3; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)- (9CI); 5,7-dihydroxy-2-(4-hydroxyphenyl)chromone; SMP2_000338; BiomolKI2_000082; Prestwick0_000414; Tocris-1227; Lopac-A-3145; Bio1_000865; NSC83244; Versulin; Pelargidenon 1449; Bio1_000376; Spigenin; 5,7,4'-Trihydroxyflavone; ST056301; UCCF 031; SPBio_000416; Apigenine; C01477; CAS-520-36-5; BSPBio_003384 | C15H10O5 | 270.24 | C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
| TCMBANKIN058293 | BOX | FEMA No. 2131; Benzenemethanoic acid; Retardex; Caswell No. 081; LS-280; Benzeneformic acid; benzoic acid; 1863-63-4 (AMMONIUM SALT); E 210; 65-85-0; 109479_SIAL; benzenecarboxylic acid; Benzoic acid (TN); NSC7918 (AMMONIUM SALT); AI3-03710; WLN: QVR; BEZ; 582-25-2 (POTASSIUM SALT); Kyselina benzoova; 33047_RIEDEL; C00180; Flowers of benzoin; HSDB 704; W213128_ALDRICH; ST5213864; nchembio.2007.22-comp2; C03096; D00038; B8027_SIGMA; Kyselina benzoova [Czech]; InChI=1/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9; EPA Pesticide Chemical Code 009101; Benzoesaeure [German]; Benzoesaeure; 18102_RIEDEL; Benzoic acid [USAN:JAN]; W213101_ALDRICH; 8013-63-6; Dracylic acid; Unisept BZA; AIDS-018010; phenylformic acid; Benzoic acid (JP15/USP); 47849_SUPELCO; Retarder BA; Aromatic hydroxy acid; B2670_SIGMA; CHEBI:30746; B2920_SIGMA; Mettler Toledo Calibration substance ME 18555, Benzoic acid; CCRIS 1893; Benzoesaeure GV; Acido benzoico [Italian]; Benzoic acid (natural); NSC149; Benzoic acid-ring-UL-14C; Benzoesaeure GK; Acide benzoique; Flowers of benjamin; Benzoic acid, tech.; AI3-0310; HA 1 (acid); Salvo liquid; Acide benzoique [French]; 12353_FLUKA; Tenn-Plas; Carboxybenzene; 242381_SIAL; Salvo, liquid; AIDS018010; Phenylcarboxylic acid; NCGC00091886-01; Solvo powder; 427608_ALDRICH; Benzoic acid (7CI,8CI,9CI); 33045_RIEDEL; HA 1; 73983_FLUKA; Solvo, powder; Benzoate (VAN); NSC 149; EINECS 200-618-2;benzenecarboxylic acid | C7H6O2 | 122.12 | C1=CC=C(C=C1)C(=O)O |
| TCMBANKIN058306 | cinnamic acid | Cinnamic acid, (Z)-; trans-beta-Carboxystyrene; (Z)-3-phenylprop-2-enoate; Cinnamylic acid; trans-Zimtsaeure; Benzenepropenoic acid; Zimtsaeure; cinnamic acid ; 3-phenylprop-2-enoic acid; C80857_ALDRICH; 102-94-3; 133760_ALDRICH; AIDS-017619; tert-.beta.-Phenylacrylic acid; BRN 1905952; STK286093; InChI=1/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11; CCRIS 3190; NSC174025; 3-Phenylpropenoic acid; CHEBI:35700; W228818_ALDRICH; cinnamicacid; (E)-3-Phenyl-2-propenoic acid; 4-09-00-02002 (Beilstein Handbook Reference); NSC623441; AC1OAGPW; 140-10-3; Benzylideneacetic acid; NSC44010; Zimtsaeure [German]; 2-Propenoic acid, 3-phenyl-, (E)-; 3-Phenyl-2-propenoic acid; NSC9189; 2-Propenoic acid, 3-phenyl-, (Z)-; trans-3-Phenylacrylic acid; C10438; W228826_ALDRICH; Cinnamic acid, (E)-; WLN: QV1U1R; NCGC00165979-01; NSC 44010; CHEBI:27386; (2Z)-3-phenylacrylate; trans-Cinnamic acid; (Z)-Cinnamic acid; (2E)-3-phenylprop-2-enoic acid; Acidum cinnamylicum; (2E)-3-phenyl-2-propenoic acid; 621-82-9; cis-.beta.-Carboxystyrene; PHENYLETHYLENECARBOXYLIC ACID; EINECS 210-708-3; 2-Propenoic acid, 3-phenyl-; 3-Phenylacrylic acid; CHEBI:35697; EINECS 205-398-1; cis-Cinnamic acid; BRN 0507757; C00423; (2Z)-3-phenylprop-2-enoate; Kyselina skoricove [Czech]; Phenylacrylic acid; Cinnamic acid; Cinnamic acid (natural); (E)-3-phenylacrylic acid; cis-cinnamate; AI3-00891; (2E)-3-phenylacrylic acid; Allocinnamic acid; (E)-3-phenylprop-2-enoic acid; (E)-Cinnamic acid; beta-phenylacrylic acid; AIDS017619; trans-Cinnamate; trans-.beta.-Carboxystyrene; trans-3-Phenyl-2-propenoic acid; 96340_FLUKA; FEMA No. 2288; trans-3-Phenylpropensaeure; NSC 9189; Isocinnamic acid; AI3-23709; cis-Cinnamic acidanion; E-cinnamicacid; E-cinnamic acid; E- cinnamicacid; 3-Phenylpropenoic acid | C9H8O2 | 148.16 | C1=CC=C(C=C1)C=CC(=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 |
| TCMBANKIN058531 | betalamic acid | betalanic acid;βetalamicacid;Betalamic acid; C08538; (2S,4E)-4-(2-oxoethylidene)-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid; CHEMBL2062984; 2,6-Pyridinedicarboxylic acid, 1,2,3,4-tetrahydro-4-(oxoethylidene)-, (S-(E))-; CHEBI:27483; SCHEMBL2186623; AC1NQY5X; 18766-66-0; (S-(E))-1,2,3,4-tetrahydro-4-(oxoethylidene)-2,6-pyridinedicarboxylic acid; (2S,4E)-4-(2-oxoethylidene)-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid | C9H9NO5 | 211.17 g/mol | C1C(NC(=CC1=CC=O)C(=O)O)C(=O)O |
| TCMBANKIN058614 | WLN: L8VTJ | ZINC03860309; 4-07-00-00049 (Beilstein Handbook Reference); 29620_FLUKA; 502-49-8; C109800_ALDRICH; NSC 9475; EINECS 207-940-2; NSC9475; Cyclooctanone; BRN 1280738; SBB008888; InChI=1/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-7H;Cyclooctanone | C8H14O | 126.2 | C1CCCC(=O)CCC1 |
| 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 |
| TCMBANKIN058841 | e-geranylacetone | (E)- 6,10- Dimethylundeca- 5,9- dien- 2- one;5,9-Undecadien-2-one,6,10-dimethyl-,(E)-;trans-geranylacetone | C13H22O | 194.31 g/mol | CC(=CCCC(=CCCC(=O)C)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 |
| TCMBANKIN059239 | 2,4-dimethyl-2-pentanol | ZINC1562154; 2-Pentanol,4-dimethyl-; CTK5B5197; CJ-24573; EINECS 210-877-3; FMLSQAUAAGVTJO-UHFFFAOYSA-N; 2-Pentanol, 2,4-dimethyl- (8CI)(9CI); 2-Pentanol, 2,4-dimethyl-; AKOS009158341; 2,4-Dimethyl-2-pentanol, 96%; MFCD00021811; ACMC-20aoch; 625-06-9; DTXSID60211534; AC1L1Z5C; I14-61350; NSC-87555; NSC87555; SCHEMBL60827; ST50410665; MCULE-3204875128; 2-Pentanol,2,4-dimethyl-; InChI=1/C7H16O/c1-6(2)5-7(3,4)8/h6,8H,5H2,1-4H; TC-171224; 2,4-Dimethylpentan-2-ol; FT-0610155; 2,4-DIMETHYL-2-PENTANOL; Isobutyldimethylcarbinol; NSC 87555;2,4-Dimethylpentan-2-ol;2-Pentanol, 2,4-dimethyl- (8CI)(9CI); ZINC01562154; NSC87555; 2-Pentanol, 2,4-dimethyl-; 2,4-Dimethyl-2-pentanol; ST5410665; 625-06-9; Isobutyldimethylcarbinol; InChI=1/C7H16O/c1-6(2)5-7(3,4)8/h6,8H,5H2,1-4H; NSC 87555; EINECS 210-877-3 | C7H16O | 116.2 g/mol | CC(C)CC(C)(C)O |
| TCMBANKIN059246 | MIAK | 537705_ALDRICH; ZINC02041073; HSDB 2885; Isobutylacetone; 2-Methyl-5-hexanone; 110-12-3; Ketone, methyl isoamyl; BRN 0506163; Isoamyl methyl ketone; EINECS 203-737-8; InChI=1/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H; 5-Methylhexan-2-one; 5-METHYL-2-HEXANONE; 4-01-00-03329 (Beilstein Handbook Reference); 5-Methylhexan-2-one [UN2302] [Flammable liquid]; Isopentyl methyl ketone; 2-Hexanone, 5-methyl-; UN2302; Methyl isoamyl ketone; Methyl isopentyl ketone; 5-methyl-2-hexanone | C7H14O | 114.19 g/mol | CC(C)CCC(=O)C |
| TCMBANKIN059253 | Hexahydro-farnesyl acetone | hexahydro-farnesylacetone; 6,10,14-trimethyl-2-pentadecanone; 6, 10, 14-trimethyl-2-pentadecanone; (6S,10S)-6,10,14-trimethylpentadecan-2-one; 2-pentadecanone,6,10,14-trimethyl-; phytone; 6,10,14-TRIMETHYL-2-PENTADECANONE; hexahydro-farnesyl-acetone; 6,10,14-trimethyl-pentadecan-2-one; C-25231; MFCD00065420; ST049442; 13955-74-3; 2-pentadecanone, 6,10,14-trimethyl; 502-69-2; MCULE-5164481361; AC1Q5H6P; PHYTONE; 6,10,14-Trimethylpentadeca-2-one; 6,10,14-trimethyl pentadecan-2-one; STK761211; OR13502; AN-21434; CTK4J2356; MolPort-001-758-493; (R,R)-Phytone; ZX-AT021772; 2-Pentadecanone,6,10,14-trimethyl-; Hexahydrofarnesyl acetone; 6,10,14-trimethyl-2-pentadecanon; Fitone; AKOS016347358; Hexahydrofarnezylacetone; SBB012620; ZERO/001268; CC-29299; Hexahydrofarnesylacetone; 36116P; 2-Pentadecanone, 6,10,14-trimethyl-; 6,10,14-trimethyl-pentadecane-2-one; W-109084; SCHEMBL716506; Phytol ketone; AKOS001727037; SR-01000526355-1; FT-0632240; SR-01000526355; KB-85744; 6,10,14-Trimethylpentadecan-2-one; hexahydrofarnesylacetone; WHWDWIHXSPCOKZ-UHFFFAOYSA-N; EINECS 207-950-7; AC1L1V4Z; hexahydrofarnesylacetone; 6,10,14-trimethyl-2-pentadecanone; 6,10,14-trimethyl-2-Pentadeeanone; hexahydrofarnesyl acetone; 6,10,14-Trimethylpentadecan-2-one; 2-Pentadecanone, 6,10,14-trimethy-; 6, 10, 14- trimethyl- 2- pentadecanone; (6R,10R)-6,10,14-trimethylpentadecan-2-one; ZINC02169908; 6,10,14-trimethylpentadecan-2-one; 2-pentadecanone,6,10,14-trimethyl; Phytone; hexahydrofarnesyl acetone; perhydrofarnesyl acetone; FITONE | C18H36O | 268.5 g/mol | CC(C)CCCC(C)CCCC(C)CCCC(=O)C |
| TCMBANKIN059262 | diisocapryl phthalate;Diop;diisooctyl phthalate;1,2-benzenedicarboxylic acid,diisooctyl ester | HSDB 588; 1,2-Benzenedicarboxylic acid, diisooctyl ester; bis(6-methylheptyl) benzene-1,2-dicarboxylate; Diisocapryl phthalate; EINECS 248-523-5; Diisooctyl phthalate; 71097-28-4; Phthalic acid, bis(6-methylheptyl)ester; Phthalic acid, diisooctyl ester; AI3-27697-X (USDA); 27554-26-3; Diisooctyl 1,2-benzenedicarboxylate; 1330-91-2; NSC 6381; Di-iso-octyl phthalate; 41375-90-0; benzene-1,2-dicarboxylic acid bis(6-methylheptyl) ester; C14577; DIISOOCTYL PHTHALATE (SEE 27554-26-3); Hexaplas M/O; 25103-50-8; Corflex 880; Flexol Plasticizer DIOP; 1,2-Benzenedicarboxylic acid, 2,2-dimethyl-1,3-propanediyl diisooctyl ester; Isooctyl phthalate | C24H38O4 | 390.6 g/mol | CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C |
| TCMBANKIN059263 | Isoheptan-1-ol | 627-98-5; EINECS 211-023-2; 5-METHYL-1-HEXANOL; EINECS 257-413-6; 5-Methylhexan-1-ol; 493953_ALDRICH; 51774-11-9; 1-Hexanol, 5-methyl-;5-methyl-1-hexanol | C7H16O | 116.2 g/mol | CC(C)CCCCO |
| TCMBANKIN059663 | 22-hydroxyhopane | C30H52O | 428.7 g/mol | CC1(CCCC2(C1CCC3(C2CCC4C3(CCC5C4(CCC5C(C)(C)O)C)C)C)C)C | |
| TCMBANKIN059885 | (6s,9r)-roseoside | C19H30O8 | 386.4 g/mol | CC1=CC(=O)CC(C1(C=CC(C)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C | |
| TCMBANKIN060140 | friedelan-3-one | C30H50O | 426.7 g/mol | CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C | |
| TCMBANKIN060167 | kaempferitrin | C27H30O14 | 578.52 | CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)C)O)O)O)C5=CC=C(C=C5)O)O)O)O)O | |
| TCMBANKIN060271 | acacetin-7-O-rutinoside | C28H32O14 | 592.5 g/mol | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)O)O)O)O)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 | |
| TCMBANKIN060803 | pentanoic acid | C5H10O2 | 102.13 g/mol | CCCCC(=O)O | |
| TCMBANKIN060868 | trans-2,4-decadienal | C10H16O | 152.23 g/mol | CCCCCC=CC=CC=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 | |
| TCMBANKIN060961 | alpha-monoolein | C21H40O4 | 356.5 g/mol | CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O | |
| TCMBANKIN061029 | myristic acid | C14H28O2 | 228.37 | CCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061059 | hexadecylic acid | C16H31O2- | 255.42 g/mol | CCCCCCCCCCCCCCCC(=O)[O-] | |
| TCMBANKIN061071 | Ethylpalmitate | C18H36O2 | 284.5 g/mol | CCCCCCCCCCCCCCCC(=O)OCC | |
| TCMBANKIN061091 | stearic acid | CH3(CH2)16COOH | 284.5 g/mol | CCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061116 | n-docosane;TWT;docosane | C22H46 | 310.6 g/mol | CCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061127 | n-tetracosane | C24H50 | 338.65 | CCCCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061132 | PENTACOSANOIC ACID;n-pentacosanoicacid | C25H50O2 | 382.7 g/mol | CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061139 | n-nonacosane | C29H60 | 408.79 g/mol | CCCCCCCCCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061141 | n-hentriacontane | C31H64 | 436.8 g/mol | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061150 | 1-hentriacontanol | C31H64O | 452.8 g/mol | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO | |
| TCMBANKIN061207 | Di-n-butyl phthalate | C16H22O4 | 278.34 g/mol | CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC | |
| TCMBANKIN061489 | Diosmetin | C10038; 520-34-3; AIDS-214630; KBioGR_001586; 5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chromen-4-one; SpecPlus_000435; Spectrum3_000987; Spectrum_001505; SDCCGMLS-0066783.P001; diosmetin; ST5331610; 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one; Spectrum4_001113; DivK1c_006531; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-; KBio1_001475; 3',5,7-trihydroxy-4'-methoxy flavone; 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one; SPBio_001735; Spectrum5_001707; KBioSS_001985; KBio2_004553; AIDS214630; KBio2_001985; NCGC00163540-01; EINECS 208-291-8; KBio2_007121; 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone; Luteolin 4'-methyl ether; KBio3_001873; 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromenone; CHEBI:4630; 3',5,7-trihydroxy-4'-methoxyflavone; Spectrum2_001638; BSPBio_002653; 5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chromone; 5,7,3'-trihydroxy-4'-methoxyflavone | C16H12O6 | 300.26 g/mol | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
| TCMBANKIN061561 | vanillic acid | CJ-02984; CHEBI:16632; Vanillate; CHEBI:30816; H36001_ALDRICH; InChI=1/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11; BRN 2208364; WKOLLVMJNQIZCI-UHFFFAOYSA-M; 94770_FLUKA; WLN: QVR DQ CO1; MLS000574833; Acide vanillique; vanillicacid; C06672; m-Anisic acid, 4-hydroxy-; VA (VAN); vanil-lic acid; 4-Hydroxy-3-methoxybenzoic acidion; 4-Hydroxy-3-methoxybenzoic acid; Protocatechuic acid, 3-methyl ester; NSC3987; NSC 674322; DB02130; VANILLIC ACID; p-Vanillic acid; NSC 3987; ZB010900; 4-Hydroxy-3-methoxybenzoate; AIDS-018089; p-Hydroxy-m-methoxy-benzonic acid; 3-Methoxy-4-hydroxybenzoic acid; 4-hydroxy-3-methoxy-benzoic acid; NSC674322; 6746-48-1; 121-34-6; AC1L2LVA; Benzoic acid, 4-hydroxy-3-methoxy-; AI3-19542; SMR000156289; AIDS018089; SBB008280; W398802_ALDRICH; EINECS 204-466-8; 4-hydroxy-3-methoxy benzoic acid; 3-methoxy-4-hydroxybenzoic acid | C8H8O4 | 168.15 g/mol | COC1=C(C=CC(=C1)C(=O)O)O |
| TCMBANKIN061568 | EUG | 4-vinyl-2-methoxy-phenol;2- methoxy—vinylphenol;2-Methoxy-4-vinylphenol;2-methoxy-4-vinylphenol;4-Hydroxy-3-methoxyvinylbenzene; 4-vinylguaiacol; 7786-61-0; FEMA No. 2675; EINECS 232-101-2; p-Vinyl guaiacol; Phenol, 4-ethenyl-2-methoxy-; W267511_ALDRICH; p-Vinylguaiacol; CPD-1072; ZINC01849800; 4-ethenyl-2-methoxy-phenol; 3-06-00-04981 (Beilstein Handbook Reference); 2-METHOXY-4-VINYL-PHENOL; BRN 2044521; LS-2530; 4-Hydroxy-3-methoxystyrene; 31853-85-7; Phenol, 2-methoxy-4-vinyl-; Vinylcatechol-O-methyl ether, P-; 2-Methoxy-4-vinylphenol; CCRIS 548; Guaiacol, 4-vinyl-; 4-ETHENYL-2-METHOXYPHENOL | C9H10O2 | 150.17 | COC1=C(C=CC(=C1)C=C)O |
| TCMBANKIN061830 | acacetin-7-O-β-D-glucopyranoside | C22H22O10 | COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O | ||
| TCMBANKIN061901 | pinitol | Pinitol; ZINC3978754; ZINC242463987; ononitol; A800629; P2219; 60537-25-9; CTK5B1658; MLS002639102; Oprea1_249757; BG01510465; Quebrachitol; Pinitol, (+)-; SCHEMBL24537; NSC26254; Quebrachitol, (-)-; NSC-231332; Ononitol; 1-Methoxycyclohexane-2,3,4,5,6-pentaol; D-4-O-Methyl-myo-inositol; Inositol, L-chiro-; NSC128700; NSC-43336; L-chiro-Inositol, 2-O-methyl-; MolPort-023-220-422; NSC231332; 2-O-methyl-l-inositol; N934; MCULE-7951850879; Matezit; AKOS024283476; ST069274; AS-15082; NCGC00095666-01; SMR001548553; 6-methoxycyclohexane-1,2,3,4,5-pentaol; (3S,6S)-6-METHOXYCYCLOHEXANE-1,2,3,4,5-PENTOL; 2-0-methyl-chiro-inositol; VC30824; Pinite (inositol derivative); NSC-128700; NSC-131046; NSC-26254; Quebrachit; AC1L5KHM; CHEMBL171890; 4CN-0916; NSC131046; AC1Q79P1; (1r,2s,3s,4s,5s,6r)-6-methoxycyclohexane-1,2,3,4,5-pentaol; 6-methoxycyclohexane-1,2,3,4,5-pentol; NSC43336; epi-Inositol,6-O-methyl- (9CI); Sennit; l-quebrachitol | C7H14O6 | 194.18 g/mol | COC1C(C(C(C(C1O)O)O)O)O |
植物对应的疾病
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植物对应的靶点
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