Plant Summary
Plant Information
TCMBank_ID: | TCMBANKHE000999 |
ID: | TCMBANKHE000999 |
功能与主治: | to promote the drainage of pus and the growth of new tissue. |
药用植物名: | 红芪 |
临床特征: | to promote the drainage of pus and the growth of new tissue. |
治疗类型: | 补气药 |
TCM_ID_id: | 8028 |
SymMap_id: | 169 |
TCMSP_id: | 964 |
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 |
|---|
| TCMBANKIN000098 | linamarin | CHEBI:16441; 2-(beta-D-Glucopyranosyloxy)-2-methylpropionitrile; SR-05000002494-1; CTK8G0586; BSPBio_003283; KBioSS_002500; BICL4127; SCHEMBL42021; FT-0608720; KBio2_007628; 1-cyano-1-methylethyl beta-D-glucoside; KBio3_002503; C01594; Spectrum_001946; SpecPlus_000936; Spectrum3_001622; CCG-39428; 2-beta-d-glucopyranosyloxy-2-methylpropanenitrile; CHEMBL3039425; 2-(; LINAMARIN; SPBio_002123; KBio1_001976; W-203090; alpha-Hydroxyisobutyronitrile beta-D-glucopyranoside, >=98.0% (HPLC); Propanenitrile, 2-(beta-D-glucopyranosyloxy)-2-methyl-; NCGC00178164-01; 2-Methyl-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)propanenitrile; 5-17-07-00397 (Beilstein Handbook Reference); AKOS030242445; MFCD00036209; 2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-propanenitrile; alpha-Hydroxyisobutyronitrile beta-D-glucopyranoside; Linamarin; LS-120874; Spectrum5_000575; DTXSID8052857; Manihotoxin; KBio2_005060; SR-05000002494; 2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-propionitrile; KBio2_002492; H3V9RP3WLO; UNII-H3V9RP3WLO; BRN 0019237; 2-(beta-D-Glucopyranosyloxy)-2-methyl-Propanenitrile; DivK1c_007032; 2-(beta-D-Glucopyranosyloxy)-2-methylpropanenitrile; HSDB 3507; alpha-Hydroxyisobutyronitrile-beta-D-glucose; 2-(beta-D-Glucopyranosyloxy)isobutyronitrile; A-D-Glucopyranosyloxy)-2-methyl-propanenitrile; Spectrum2_001972; alpha-Hydroxyisobutyronitrile beta-D-glucose; 2-methyl-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]propanenitrile; C-51988; 2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-propanenitrile; MolPort-003-665-717; A-D-Glucopyranosyloxy)-2-methylpropionitrile; ZINC3984017; Phaseolunatin; KBioGR_002195; 2-(b-D-Glucopyranosyloxy)-2-methylpropanenitrile, 9CI; SPECTRUM1504124; SDCCGMLS-0066829.P001; 2-methyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propanenitrile; Spectrum4_001668; AC1L1WOH; 554-35-8; AK600739; 2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanenitrile | C10H17NO6 | 247.24 g/mol | CC(C)(C#N)OC1C(C(C(C(O1)CO)O)O)O |
| TCMBANKIN001863 | gamma-aminobutyric acid | NCGC00015043-01; gamma Aminobutyric acid; GABA hydrochloride; Piperidinic acid; Spectrum3_001385; NINDS_000616; NSC 27418; 4-Aminobutyric acid hydrochloride; LMFA01100039; gamma-Aminobutanoic acid; gamma-Aminobutyric acid; QPGLUEKHBNOAHG-UHFFFAOYSA-N; NCGC00024546-03; 28805-76-7; Aminalon; Gamarex; Tocris-0344; D00058; Oprea1_584567; DF 468; 3131-86-0; Butyric acid, 4-amino- (7CI,8CI); Immu-G; EU-0100005; NSC32044; 5959-35-3; 4-aminobutyrate hydrochloride; MCULE-3615304273; Chemical Name: .gamma.-Aminobutanoic acid; InChI=1/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7; NCGC00024546-04; SPECTRUM1500678; BUTANOIC ACID,4-AMINO 4-AMINO,BUTYRIC ACID; 0S3LEB8Q58; gamma-Aminobutyric acid-carboxy-14C; Gamastan; BSPBio_002970; PDSP1_001275; Gammalon; Spectrum2_001208; gamma-Aminobuttersaeure; 56-12-2; a-Aminobutyric acid; Gamulin; nchembio.78-comp12; Gaballon; AC1L4OHW; gamma-Aminobutyric acid hydrochloride; PDSP2_001259; SMR000058285; KBio1_000616; 4-NH2-but; Butanoic acid,4-amino-, hydrochloride (1:1); Acide amino-4- butyrique [French]; 4-aminobutyrate; MLS000028505; EINECS 227-724-1; DTXSID50208256; 4-aminobutyric acid; NCGC00024546-01; KBio2_005565; ST5330631; Butanoic acid, amino-; AK498572; CCG-213774; 4-Aminobutyric acid HCl; Reanal; BG00901312; EPA Pesticide Chemical Code 030802; Gamma-Aminobutyric acid (JAN); UNII-0S3LEB8Q58; gamma-Aminobuttersaeure [German]; NSC27418; AC1Q3E7S; to_000021; Spectrum5_001425; Lopac-A-2129; KBioSS_000429; .gamma.-Aminobutanoic acid; A2129_SIGMA; g-Aminobutyric acid; 56-12-2 (Parent); KBio3_002190; SPBio_000996; Gammalon (TN); 4-NH3-but; NCGC00024546-06; NSC51295; CTK5B0181; Gammalone; Piperidic acid; WLN: Z3VQ; SGCUT00121; IDI1_000616; GABA; EINECS 200-258-6; CCRIS 3721; gamma-aminobutyrate; Spectrum_000049; gamma-Aminobutryic acid; KBio2_000429; KBio2_002997; 70582-09-1; omega-aminobutyric acid; Spectrum4_000809; Aminobutanoic acid; 4-aminobutanoic acid,hydrochloride; butanoic acid, 4-amino-; gamma-amino-n-butyric acid; Mielomade; 4-AMINO-BUTYRATE; GAMMA(AMINO)-BUTYRIC ACID HYDROCHLORIDE; Biomol-NT_000230; 4-aminobutanoic acid hydrochloride(1:1); 4-aminobutanoic acid hydrochloride; 4-aminobutanoate; A5835_SIGMA; Lopac0_000005; GAMMA-AMINO-BUTANOIC ACID; CHEBI:16865; 4-amino-butanoic acid; 4-amino-n-butyric acid; Gammar; C00334; Mielogen; Gamma-aminobutyric acid [JAN]; Gammagee; GAMMA(AMINO)-BUTYRIC ACID; NSC45460; AI3-26812; 3-Carboxypropylamine; A7463_SIGMA; Butyric acid, 4-amino-; .gamma.-Aminobutyric acid; SCHEMBL115987; DivK1c_000616; Gammasol; AKOS024400865; Aminobutyric acid; 4-Aminobutanoic acid; KBioGR_001297; Butanoic acid, 4-amino- (9CI) | C4H10ClNO2 | 139.58 g/mol | C(CC(=O)O)CN.Cl |
| TCMBANKIN002330 | citronellyl acetate | AJ-33256; (-)-3,7-Dimethyloct-6-enyl acetate; 6-Octen-1-ol, 3,7-dimethyl-, 1-acetate, (3S)-; UNII-78RZL4H51H; Citronellol acetate, (S)-; (s)-citronellyl acetate; CJ-32447; 67601-05-2; CJ-07629; UNII-IZ420RT3OY component JOZKFWLRHCDGJA-NSHDSACASA-N; ZINC2040946; EINECS 266-767-0; [(3S)-3,7-dimethyloct-6-enyl] acetate; AC1OE5SZ; 6-Octen-1-ol, 3,7-dimethyl-, acetate, (3S)-; (?)-Citronellol acetate; 78RZL4H51H | C12H22O2 | 198.3 g/mol | CC(CCC=C(C)C)CCOC(=O)C |
| TCMBANKIN002965 | Ethyl-p-digallate | ethyl-p-digallate; ethyl 3,5-dihydroxy-4-(3,4,5-trihydroxyphenyl)carbonyloxy-benzoate; AC1NSVBL; 3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyl)oxy-benzoic acid ethyl ester; (4-ethoxycarbonyl-2,6-dihydroxyphenyl) 3,4,5-trihydroxybenzoate; ethyl 3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyl)oxybenzoate; ethyl 3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyl)oxy-benzoate; 3,5-dihydroxy-4-[oxo-(3,4,5-trihydroxyphenyl)methoxy]benzoic acid ethyl ester | 350.3 | CCOC(=O)C1=CC(=C(C(=C1)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O | |
| TCMBANKIN004584 | trioleic glyceride | 288.48 | |||
| TCMBANKIN005528 | methyl (Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate | (Z)-3-(3,4,5-trimethoxyphenyl)acrylic acid methyl ester; (Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid methyl ester; 2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, methyl ester, cis | C13H16O5 | 252.26 | COC1=CC(=CC(=C1OC)OC)C=CC(=O)OC |
| TCMBANKIN005753 | shuang-hua-chun | ||||
| TCMBANKIN007109 | Hexadecyl ferulate | hexadecyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate; 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, hexadecyl ester; 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid hexadecyl ester; hexadecyl 3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate; (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid cetyl ester; hexadecyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate; 3-(4-hydroxy-3-methoxy-phenyl)acrylic acid cetyl ester; 64190-80-3; hexadecyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate; (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid hexadecyl ester | C26H42O4 | 418.61 | CCCCCCCCCCCCCCCCOC(=O)C=CC1=CC(=C(C=C1)O)OC |
| TCMBANKIN007380 | Sainfuran | CHEBI:8998; CTK5G8291; AC1L4G18; 5-Benzofuranol, 2-(2-hydroxy-4-methoxyphenyl)-6-methoxy-; 2-(2-hydroxy-4-methoxyphenyl)-6-methoxy-5-benzofuranol; 2-(2-hydroxy-4-methoxy-phenyl)-6-methoxy-1-benzofuran-5-ol; 2-(2-hydroxy-4-methoxyphenyl)-6-methoxy-1-benzofuran-5-ol; LMPK12160040; sainfuran; 90664-32-7; C08974; 2-(2-hydroxy-4-methoxy-phenyl)-6-methoxy-benzofuran-5-ol | C16H14O5 | 286.28 | COC1=CC(=C(C=C1)C2=CC3=CC(=C(C=C3O2)OC)O)O |
| TCMBANKIN008227 | 1,1'-bicyclohexyl | 1,1'-Biphenyl, dodecahydro-; NSC-59855; AN-42602; Cyclohexyl Cyclohexane; DICYCLOHEXYL; I14-20898; ACN-043317; ZINC100508964; Dicyclohexane; UNII-Y77501141O; AC1L1NZS; NSC59855; Dicyclohexyl, United States Pharmacopeia (USP) Reference Standard; ACMC-20aj0g; FCH1116935; C-30058; EINECS 202-161-4; Y77501141O; AC1Q1H0D; 1,1-Bicyclohexyl; CJ-28043; I14-20001; DSSTox_GSID_21802; NSC 59855; TRA0041593; ST50405531; Bicyclohexane; Cyclohexylcyclohexane; 3326AF; 92-51-3; DB-057310; TR-031847; Tox21_302104; MFCD00003815; ZINC1689826; 1,1'-BI(CYCLOHEXYL); 1,1'-BI(CYCLOHEXANE)-1-YL; DTXSID8021802; CAS-92-51-3; CHEMBL1231413; AKOS005207082; LS-184861; 1, dodecahydro-; WVIIMZNLDWSIRH-UHFFFAOYSA-N; Bicyclohexyl; 1,1'-Bicyclohexyl; cyclohexylcyclohexan; ANW-75566; NCGC00255206-01; B0902; FT-0624222; W-109341; AI3-01174; Y-8578; DSSTox_RID_76336; DSSTox_CID_1802; Dodecahydrobiphenyl; Cyclohexane, cyclohexyl-; Bicyclohexyl, 99% | C12H22 | 166.3 g/mol | C1CCC(CC1)C2CCCCC2 |
| TCMBANKIN012493 | 2'-o-[β-d-apiofuranosyl(1→2)-β-d-glucopyra-nosyl]isoliquiritigenin | C26H30O14 | |||
| TCMBANKIN012588 | 2-(2-hydroxy-4-methoxyphenyl)-6-benzofuranol | 2-(2-hydroxy-4-methoxy-phenyl)benzofuran-6-ol; 2-(2-hydroxy-4-methoxy-phenyl)-1-benzofuran-6-ol; 2-(2-hydroxy-4-methoxyphenyl)-1-benzofuran-6-ol | C15H12O4 | 256.25 | COC1=CC(=C(C=C1)C2=CC3=C(O2)C=C(C=C3)O)O |
| TCMBANKIN012821 | methyl 3,4,5-trimethoxycinnamate | KLXHCGFNNUQTEY-AATRIKPKSA-N; ZINC153660; 7560-49-8; CHEBI:86898; methyl (3,4,5-trimethoxy)cinnamate; Cinnamic acid, 3,4,5-trimethoxy-, methyl ester; KB-114276; TR-009466; (E)-Methyl 3-(3,4,5-trimethoxyphenyl)acrylate; NCGC00385894-01!methyl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate; methyl-3,4,5-trimethoxy cinnamate; bmse010223; I14-1373; (E)-methyl 3-(3,4,5-trimethoxyphenyl)prop-2-enoate; KB-83560; 2-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)-, methyl ester; Methyl trans-3,4,5-trimethoxycinnamate; MFCD03614740; 3,4,5-Trimethoxybenzeneacrylic acid methyl ester; MolPort-000-157-638; MolPort-009-665-537; MCULE-3421702175; Methyl (2E)-3-(3,4,5-trimethoxyphenyl)-2-propenoate #; 3,4,5-trimethoxycinnamic acid methyl ester; methyl 3, 4, 5-trimethoxycinnamate; methyl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate; 3,4,5-Trimethoxy-trans-cinnamic acid methyl ester; RTR-009466; K-5935; methyl (2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate; Methyl (2E)-3-(3,4,5-trimethoxyphenyl)acrylate; 1747AC; Methyl trans-3-(3,4,5-trimethoxyphenyl)acrylate; Methyl trans-3-(3,4,5-trimethoxyphenyl)prop-2-enoate; 2-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)-, methyl ester, trans; PK04_181140; Methyl 3,4,5-trimethoxycinnamate; 20329-96-8; SBB053750; Methyl 3-(3,4,5-trimethoxyphenyl)acrylate; ACM20329968; 2-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)-, methyl ester, (2E)-; AJ-13048; SCHEMBL2433925; NSC648088; CCG-214455; CHEMBL1991500; AKOS003307574; 2-Propenoic acid,3-(3,4,5-trimethoxyphenyl)-,methyl ester,(2E)-; ZX-AT005114; AK109622; ST092966; KB-255967; ST24047766; NSC-648088; AK680578; Methyl ester of 3,4,5-Trimethoxycinnamic acid; AC1Q5YKH; MS-8964; OR11100; SEL12164119; Methyl 3,4,5-trimethyoxycinnamate; AC1LEGSK | C13H16O5 | 252.26 g/mol | COC1=CC(=CC(=C1OC)OC)C=CC(=O)OC |
| TCMBANKIN014180 | macranthoside a | CC1C(C(C(C(O1)OC2C(C(OC(C2O)OCC3(C4CCC5(C(C4(CCC3O)C)CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)O)C)C)C)CO)O)OC8C(C(C(CO8)O)O)O)O)O | |||
| TCMBANKIN015653 | rhps | CC1=CC2=C3C(=C1)C4=C(C=CC(=C4)F)[N+](=C3C5=C(N2C)C=CC(=C5)F)C | |||
| TCMBANKIN015977 | Chlorogenin | (25R)-5alpha-spirostan-3beta,6alpha-diol; chlorogenin; LMST01080086 | C27H44O4 | 432.64 | CCC1C(CC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C)OC5(CCC(CO5)C)C |
| TCMBANKIN017368 | 2-(furan-2-yl)-S-(2,3,4-trihydroxybutyl)-1,4-diazine | ||||
| TCMBANKIN018057 | butanedioic acid | YM 905; YM67905; MFCD09952287; SMR004701445; BG00498597; D01269; Vesicare OD; UNII-KKA5DLD701; Solifenacin succinate (JAN/USAN/INN); ST24049293; YM-905; 1-Azabicyclo[2.2.2]octan-8-yl (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate butanedioic acid; AC1L50Q6; CHEBI:32151; YM-53705; (1S)-3,4-Dihydro-1-phenyl-d5-2(1H)-isoquinolinecarboxylic Acid (3R)-1-Azabicyclo-[2.2.2]oct-3-yl Ester Hydrochloride; Butanedioic acid, compd with (1S)-(3R)-1-azabicyclo(2.2.2)oct-3-yl 3,4-dihydro-1-phenyl-2(1H)-isoquinolinecarboxylate (1:1); CS-0371; AB0139087; KKA5DLD701; LS-183550; 242478-37-1; MolPort-003-850-268; Solifenacin succinate [USAN]; Vesikur; MLS006010416; (1S)-(3R)-1-azabicyclo[2.2.2]oct-3-yl-3,4-dihydro-1-phenyl-2(1H)-isoquinolinecarboxylate succinate; FT-0657634; Solifenacin (Succinate); A819262; BC677662; CHEMBL1200803; S0944; RXZMMZZRUPYENV-VROPFNGYSA-N; AX8032830; AC1Q5VRD; [(3R)-1-azabicyclo[2.2.2]octan-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate;butanedioic acid; AKOS015994745; W-5423; 1-Azabicyclo[2.2.2]octan-8-yl (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate butanedioic acid (Solifenacin?Succinate); [(3R)-1-azabicyclo[2.2.2]octan-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate; butanedioic acid; AN-15595; Solifenacin Succinate Salt; CTK8G3169; KS-00000656; AK160479; s3048; AM84825; 2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-1-phenyl-, (3R)-1-azabicyclo(2.2.2)oct-3-yl ester, (1S)-, butanedioate (1:1); [(3R)-quinuclidin-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate; succinic acid; KS-1286; HY-A0002; Quinuclidin-3'-yl-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylatemonosuccinate; Vesicare; Solifenacin succinate; 242478-38-2; Vesicare (TN); Butanedioic acid, cmpd. with (1S)-(3R)-1-azabicyclo(2.2.2)oct-3-yl 3,4-dihydro-1-phenyl-2(1H)-isoquinolinecarboxylate (1:1); SCHEMBL109333; butanedioic acid; (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid [(3R)-1-azabicyclo[2.2.2]octan-3-yl] ester | C27H32N2O6 | 480.6 g/mol | C1CN2CCC1C(C2)OC(=O)N3CCC4=CC=CC=C4C3C5=CC=CC=C5.C(CC(=O)O)C(=O)O |
| TCMBANKIN018074 | macranthoidin B | Olean-12-en-28-oic acid, 3-((O-beta-D-glucopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl)oxy)-23-hydroxy, 6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester, (3beta,4alpha)-; 136849-88-2; macranthoidin b; Olean-12-en-28-oic acid, 3-((O-beta-D-glucopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl)oxy)-23-hydroxy-, 6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl est; N2410; Macranthoidin B; 3-O-beta-D-Glucopyranosyl-(1-4)-beta-D-glucopyranosyl-(1-3)-alpha-L-rhamnopyranosyl-(1-2)-alpha-L-arabinopyranosyl-3,23-dihydroxyolean-12-en-28-O-D-glucopyranosyl-(1-6)glucopyranoside | C65H106O32 | 1399.52 | CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)CO)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O)C)C)C)OC1C(C(C(C(O1)CO)O)O)O)OC1C(C(C(C(O1)CO)O)O)O)O)O)O |
| TCMBANKIN019594 | lonicerin | 7-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one; 3',4'-Dihydroxy-7-[(2-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl)oxy]flavone | C27H30O15 | 594.5 g/mol | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)CO)O)O)O)O)O |
| TCMBANKIN019870 | 7-o-(4-β-d-glucopyranosyloxy-3-methoxy-benzoyl) secologanolicacid | 7-o-(4-β-d-glucopyranosyloxy-3-methoxy-benzoyl)secologanolicacid | C30H40O18 | COC1=C(C=CC(=C1)C(=O)OCCC2C(C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)C=C)OC4C(C(C(C(O4)CO)O)O)O | |
| TCMBANKIN023279 | beta-ursolic acid | ||||
| TCMBANKIN025200 | (2R)-7-hydroxy-2-(4-hydroxyphenyl)chroman-4-one | ZINC00519174; (2R)-7-hydroxy-2-(4-hydroxyphenyl)-4-chromanone | C15H12O4 | 256.25 | |
| TCMBANKIN025795 | daucosterol_qt | Daucosterol_qt | C35H60O6 | 576.85 | |
| TCMBANKIN025882 | macrocarpal a | CHEMBL396609; 5-((1R)-1-((11S,7R)-7-hydroxy-3,3,7,11-tetramethyltricyclo(6.3.0.0(2,4))undec-11-yl)-3-methylbutyl)-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde; MolPort-035-706-254; BG01169060; DTXSID70157878; W2277; 5-[(1R)-1-[(1aR,4R,4aR,7S,7aS,7bR)-4-hydroxy-1,1,4,7-tetramethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-yl]-3-methyl-butyl]-2,4,6-trihydroxy-benzene-1,3-dicarbaldehyde; 5-[(1R)-1-[(1AR,4R,4AR,7S,7AS,7BR)-4-HYDROXY-1,1,4,7-TETRAMETHYL-OCTAHYDROCYCLOPROPA[E]AZULEN-7-YL]-3-METHYLBUTYL]-2,4,6-TRIHYDROXYBENZENE-1,3-DICARBALDEHYDE; Macrocarpal A; AC1L9RNQ; SCHEMBL96208; 5-[(1R)-1-((11S,7R)-7-hydroxy-3,3,7,11-tetramethyltricyclo[6.3.0.0<2,4>]undec-11-yl)-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde; AKOS032948754; 4CN-2240; ZINC28882413; 5-[(1R)-1-[(1aR,4R,4aR,7S,7aS,7bR)-4-hydroxy-1,1,4,7-tetramethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde; 132951-90-7 | C28H40O6 | 472.6 g/mol | CC(C)CC(C1=C(C(=C(C(=C1O)C=O)O)C=O)O)C2(CCC3C2C4C(C4(C)C)CCC3(C)O)C |
| TCMBANKIN028866 | farnesal | C15H24O | 220.35 g/mol | CC(=CCCC(=CCCC(=CC=O)C)C)C | |
| TCMBANKIN030414 | 2-Heptanol,3-methyl | C8H18O | 130.23 g/mol | CCCCC(C)C(C)O | |
| TCMBANKIN033235 | Inositol-b | inositol-b | C6H12O6 | 180.16 | |
| 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 |
| TCMBANKIN035394 | isochlorogenicacid a | isochlorogenic acid A | C25H24O12 | 516.4 g/mol | C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O |
| TCMBANKIN035859 | luteolin 7-o-beta-d-galatoside | ||||
| TCMBANKIN036037 | (Z)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one | Lopac-I-3766; NCGC00015556-01 | C15H12O4 | 256.25 | C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O |
| TCMBANKIN036829 | ursolic acid | ursolicacid; U6753_SIGMA; AIDS-039057; AKOS022168209; Urs-12-en-28-oic acid, 3beta-hydroxy- (8CI); 77-52-1; s2370; 3beta-Hydroxyurs-12-en-28-oic acid; SMR000445681; NSC4060; MLS000728569; Ursolic acid; TOS-BB-0966; 3beta-Hydroxy-12-ursen-28-ic acid; (1S,2R,4R,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-1H-picene-4-carboxylic acid; ursolic acid ; BSPBio_000018; NSC 167406; H719; 89797_FLUKA; EINECS 201-034-0; Prunol; BPBio1_000020; (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid; AI3-03109; CHEBI:9908; ST056289; Ursolicacid; AC-8029; Urs-12-en-28-oic acid, 3-hydroxy-, (3beta)-; Ursolic acid (Malol); CCRIS 7123; BC216337; Urson; (3beta)-3-Hydroxyurs-12-en-28-oic acid; Prestwick3_000089; Malol; C08988; AKOS015965499; SCHEMBL1699371; MolPort-016-633-342; 209545-05-1; AS-13246; AIDS039057; NSC 4060 | C30H48O3 | 456.7 | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)[O-] |
| TCMBANKIN036913 | naringenin | (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one; ZINC1785; Spectrum2_000325; 2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; (-)-Naringenin; SDCCGMLS-0066570.P001; (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one; MLS000574861; KBio2_000727; CHEBI:50201; HMS3468H18; ALBB-015405; NCGC00017346-01; BBL010488; AJ-08090; DivK1c_000118; BB 0261506; (S)-2,3-dihydo-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; CAS-480-41-1; KBio3_001454; SC-85987; 4H-1-benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (2R)-; AIDS-001417; NINDS_000118; SCHEMBL17166263; Spectrum3_000567; 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone; (2R)-naringenin; (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromanone; BSPBio_001954; BB_NC-1001; MCULE-5852778653; NCGC00163598-01; BG01564988; MFCD03265520; naringenin ; 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (2S)-; (2R)-5,7,4'-trihydroxyflavone; AKOS004119880; CHEBI:17846; ST24036200; AC1LDI7C; KBioGR_000508; ZINC00156701; Phytochemistry 8: 127 (1969); R6691; Asahina; 4',5, 7-Trihydroxyflavanone; N1370; (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one; C00509; 480-41-1; KBio2_003295; (2R)-4',5,7-trihydroxyflavanone; (+)-naringenin; Spectrum_000247; ZB000410; NAR; pelargidanon 1602; (R)-naringenin; IDI1_000118; STK801623; Spectrum5_001423; MolPort-002-507-277; Spectrum4_000124; 17654-19-2; KBio1_000118; KBioSS_000727; (+)-(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one; (2R)-4',5,7-trihydroxyflavan-4-one; NCGC00016457-01; STOCK1N-05989; KBio2_005863; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one; AIDS001417; BG00617674; TNP00287; (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one; SPECTRUM1500746; YSO1; SMR000156272; 4',5,7-triOH-Flavone; SPBio_000329 | C15H12O5 | 272.253 | c1(O[H])c([H])c([H])c([C@]2([H])Oc(c([H])c(O[H])c([H])c3O[H])c3C(=O)C2([H])[H])c([H])c1[H] |
| TCMBANKIN037131 | ononin | 4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3-(4-methoxyphenyl)-; MEGxp0_000395; 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; LMPK12050014; 486-62-4; 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; Formononetin glucoside; STOCK1N-14986; 75375_FLUKA; 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside; ACon1_000463; ZINC01081322; 3-(4-methoxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; CHEBI:7775; 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; Ononin; C10509; Formononetin 7-O-glucoside; Formononetin-7-O-beta-D-glucopyranoside; Formononetin-7-glucoside | C22H22O9 | 430.405 | [C@@]1([H])(O[H])[C@]([H])(C([H])([H])O[H])O[C@]([H])(Oc2c([H])c([H])c(C(=O)C(c3c([H])c([H])c(OC([H])([H])[H])c([H])c3[H])=C([H])O4)c4c2[H])[C@@]([H])(O[H])[C@]1([H])O[H] |
| TCMBANKIN038032 | formononetin | Oprea1_815287; AIDS027672; 7-hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-one; Isoflavone, 7-hydroxy-4'-methoxy- (8CI); NCI60_042081; NCGC00095207-03; Oprea1_139748; NCIOpen2_005983; SDCCGMLS-0066428.P001; CHEBI:18088; TNP00176; 485-72-3; Formononetol; Isoflavone, 7-hydroxy-4'-methoxy-; 7-hydroxy-3-(4-methoxyphenyl)chromone; Spectrum2_000560; Formononetin; NSC 93360; EINECS 207-623-9; 47752_FLUKA; KBio2_000853; 7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone; Spectrum5_000258; KBio3_001519; NSC93360; KBioSS_000853; Spectrum_000373; SPECTRUM102007; KBio2_005989; Biochanin B; KBioGR_001878; NCGC00017269-01; 7-Hydroxy-3-(4′-methoxyphenyl)-4H-benzopyran-4-one; formononetin ; 7-hydroxy-4'-methoxy-isoflavone; BSPBio_002299; ZINC00113304; 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-methoxyphenyl)- (9CI); SBB016445; Spectrum3_000660; 7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one; Spectrum4_001429; DivK1c_006319; KBio2_003421; SPBio_000639; NCGC00095207-01; KBio1_001263; AIDS-027672; 7-Hydroxy-4'-methoxyisoflavone; C00858; 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-methoxyphenyl)-; NCGC00095207-02; SpecPlus_000223 | C16H12O4 | 268.264 | C1([H])=C(c2c([H])c([H])c(OC([H])([H])[H])c([H])c2[H])C(c3c(O1)c([H])c(O[H])c([H])c3[H])=O |
| TCMBANKIN038302 | 6'-o-acethylharpagoside | AC1O3DIT; [(1S,4aS,5R,7S,7aS)-1-[(2S,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-4a,5-dihydroxy-7-methyl-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] (E)-3-phenylprop-2-enoate | CC(=O)OCC1C(C(C(C(O1)OC2C3C(CC(C3(C=CO2)O)O)(C)OC(=O)C=CC4=CC=CC=C4)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] |
| TCMBANKIN041012 | (E)-Aldosecologanin | 758.7 g/mol | |||
| 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 |
| TCMBANKIN041402 | chlorogenic acid | 3-methyl-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid; 4-prop-1-enylbenzene-1,2-diol; A821421; 4-prop-1-enylbenzene-1,2-diol; 1,3,4-trihydroxy-5-methyl-1-cyclohexanecarboxylic acid; chlorogenic acid ; Chlorogenic acid; chlorogenicacid | C16H18O9 | 354.309 | C1([H])([H])[C@](C(O[H])=O)(O[H])C([H])([H])[C@@]([H])(OC(=O)\C([H])=C([H])/c2c([H])c([H])c(O[H])c(O[H])c2[H])[C@]([H])(O[H])[C@@]1([H])O[H] |
| TCMBANKIN041506 | ioniceroside c | C53H86O22 | CC1C(C(C(C(O1)OC2C(C(C(OC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4)C)C)(C)CO)OC8C(C(C(C(O8)CO)O)O)O)C)(C)C)COC9C(C(C(CO9)O)O)O)O)O)O)O)O | ||
| TCMBANKIN042007 | 3'-o-methyl loniflavone | C23H30O5 | 386.5 g/mol | CC(=O)OCC(=O)C1(CCC2C1(CCC3C2CCC4=CC(=O)C=CC34C)C)O | |
| TCMBANKIN042066 | Loniflavone | 522.5 g/mol | |||
| TCMBANKIN042628 | loganin | SDCCGMLS-0066747.P001; KBio2_001983; Spectrum_001503; BSPBio_003350; methyl (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyran-4-carboxylate; KBio2_004551; KBio1_001603; Loganin; C01433; KBioSS_001983; KBio2_007119; Spectrum2_001637; KBio3_002852; methyl (1S,4aS,6S,7R,7aS)-1-(beta-D-glucopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate; SPBio_001733; Spectrum4_001914; (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester; Methyl (1S-(1alpha,4aalpha,6alpha,7alpha,7aalpha))-1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methylcyclopenta(c)pyran-4-carboxylate; DivK1c_006659; Spectrum5_000628; CHEBI:15771; SpecPlus_000563; (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester; methyl (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyran-4-carboxylate; 18524-94-2; EINECS 242-398-0; MEGxp0_000723; SPECTRUM1504066; ACon1_001749; Spectrum3_001875; ZINC03978792; 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester; KBioGR_002535; LMPR01020102 | C18H28O10 | 404 | [C@]12([H])[C@@]([H])([C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C1([H])[H])[C@]([H])(O[C@]([H])(O[C@@]3(C([H])([H])O[H])C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])OC([H])=C2C(OC([H]) ([H])[H])=O |
| TCMBANKIN042858 | Luteolin | Prestwick3_000870; TNP00073; 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate luteolin-7-olate(1-); 62696_FLUKA; ACon1_000223; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-chromenone; Digitoflavone; SMR000326896; luteolin-7-olate anion; 4H-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-; CHEBI:57545; FLAVONE, 3',4',5,7-TETRAHYDROXY-; 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-benzopyrone; A827664; BPBio1_001011; MEGxp0_000143; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy- (9CI); Weld Lake; BSPBio_000919; CHEBI:15864; 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one; Oprea1_849964; Yama kariyasu; 4-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-oxidanyl-phenolate; ST024703; luteolin ; NCGC00016467-02; EINECS 207-741-0; AIDS001406; NCGC00142375-02; C.I. Natural Yellow 2; S00110; Luteoline; Luteolin; Luteolol; 3′,4′,5,7-Tetrahydroxyflavone; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-; Prestwick_122; 5,7,3',4'-Tetrahydroxyflavone; BRN 0292084; CAS-491-70-3; 4-(5,7-dihydroxy-4-oxo-1-benzopyran-2-yl)-2-hydroxyphenolate; ZINC00008613; NCGC00142375-01; Prestwick1_000870; AIDS-001406; C01514; CCRIS 3790; 3',4',5,7-Tetrahydroxyflavone; Flacitran; Cyanidenon 1470; MLS000697655; SPBio_002840; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one; Lopac0_000660; NCGC00016467-01; C.I. 75590; Prestwick0_000870; 491-70-3; 2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-oxylato-4H-1-benzopyran-4-one; 5-18-05-00296 (Beilstein Handbook Reference); Prestwick2_000870; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one; L9283_SIGMA; 3′,4′,5,7-Tetrahydroxyflavone; SMP2_000042; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromone | C15H10O6 | 286.236 | c1(O[H])c([H])c(OC(c2c([H])c([H])c(O[H])c(O[H])c2[H])=C([H])C3=O)c3c(O[H])c1[H] |
| TCMBANKIN043597 | lignoceryl ferulate | C34H58O4 | 530.8 g/mol | CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=CC1=CC(=C(C=C1)O)OC | |
| TCMBANKIN045638 | beta-Sitosterol-3-O-beta-D-xylopyranoside | AC1O3E0X; beta-sitosterol-3-o-beta-d-xylopyranoside; (2S,3R,4S,5R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol; β-sitosterol-3-o-β-d-xylopyranoside; beta-Sitosterol-3-O-beta-D-xylopyranoside_qt | 546.92 | ||
| TCMBANKIN046115 | trans-2-hwxwnoic acid | 114.142 | |||
| TCMBANKIN046392 | hypaphorine | NSC130253; AC1MYRI7; MolPort-001-741-904; HMS2271P06; Hypaphorine, >=95% (LC/MS-ELSD); 3-(1H-indol-3-yl)-2-(trimethylammonio)propanoate; CHEMBL448328; NP-005551; SMR000440569; MCULE-3745207364; MLS000876774; SCHEMBL4736466; NSC-130253; 3-(1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate | C14H18N2O2 | 246.3 g/mol | C[N+](C)(C)C(CC1=CNC2=CC=CC=C21)C(=O)[O-] |
| TCMBANKIN046638 | loganoside | SMR000470832; HMS2267G06; SR-01000760596-2; SR-01000760596; AC1L74CC; L0268; NSC606403; Loganoside; methyl (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate; CHEMBL2135791; NSC-606403; MLS000728659 | C17H26O10 | 390.4 g/mol | CC1C(CC2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O |
| TCMBANKIN047736 | (3R)-4'-Methoxy-2',3,7-trihydroxyisoflavanone | (3S)-3,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)chroman-4-one; (3r)-4'-methoxy-2',3,7-tr ihydroxyisoflavanone; (3S)-3,7-dihydroxy-3-(2-hydroxy-4-methoxy-phenyl)chroman-4-one; (3r)-4'-methoxy-2',3,7-trihydroxyisoflavanone; (3R)-4'-methoxy-2',3,7-trihydroxyisoflavanone; (3S)-3,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4-chromanone | C16H14O6 | 302.28 g/mol | COC1=CC(=C(C=C1)C2(COC3=C(C2=O)C=CC(=C3)O)O)O |
| TCMBANKIN048381 | 2-heptanol | 189056-EP2380568A1 | C7H16O | 116.2 g/mol | CCCCCC(C)O |
| TCMBANKIN048752 | l-phenylalaninosecologanin | C26H35NO11 | 537.6 g/mol | COC(=O)C1=COC(C(C1CCNC(CC2=CC=CC=C2)C(=O)O)C=C)OC3C(C(C(C(O3)CO)O)O)O | |
| TCMBANKIN049026 | (z)-aldosecologanin | C34H46O19 | 758.7 g/mol | COC(=O)C1=COC(C(C1CC=C(C=O)C2C(C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)C=C)C=C)OC4C(C(C(C(O4)CO)O)O)O | |
| TCMBANKIN050286 | macranthoside b | C53H86O22 | 1075.2 g/mol | CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)CO)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)O)C)C)C)O)O)O)OC8C(C(C(C(O8)CO)OC9C(C(C(C(O9)CO)O)O)O)O)O)O | |
| TCMBANKIN055740 | 3',4'-Dihydroxyacetophenone | C16225; 35878-41-2; (3R)-3-(2-hydroxy-4-methoxyphenyl)-7-chromanol; (3R)-3-(2-hydroxy-4-methoxyphenyl)chroman-7-ol; (3R)-3-(2-hydroxy-4-methoxy-phenyl)chroman-7-ol; 7,2'-dihydroxy-4'-methoxyisoflavan; C16225; (3S)-3-(2-hydroxy-4-methoxyphenyl)chroman-7-ol; 4CN-2332; C10540; 9JHS2AVR43; vestitol; 35878-41-2; (R)-(-)-Vestitol; (3R)-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol; ZB015172; ZINC899922; (3R)-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol; CTK1C3580; (3S)-3-(2-hydroxy-4-methoxyphenyl)-7-chromanol; (?)-Vestitol; CHEBI:80392; (-)-Vestitol; AC1L4ALZ; UNII-Z244UVZ669 component XRVFNNUXNVWYTI-NSHDSACASA-N; CHEMBL479145; Vestitol, (-)-; UNII-9JHS2AVR43; MolPort-039-338-174; 20879-05-4; (3S)-3-(2-hydroxy-4-methoxy-phenyl)chroman-7-ol; (3R)-3-(2-hydroxy-4-methoxy-phenyl)chroman-7-ol; Vestitol | C8H8O3 | 152.147 | c1([H])c(C(=O)C([H])([H])[H])c([H])c(O[H])c(O[H])c1[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 |
| TCMBANKIN058057 | D-Chiro-Inositol | Chiro-inositol;mesoinositol; Myo-inositol; i-inositol; Inositol-c; scyllo-insitol; Inositol;KS-00001292; TR-022051; BG01505581; MFCD01321249; CTK1C5947; AKOS024318869; INOSITOL (D); Inositene; CHEBI:27374; D-(+)-chiro-Inositol; LT03328768; I-6500; 2H3; (1R,2R,3R,4S,5S,6s)-cyclohexane-1,2,3,4,5,6-hexaol; D07CPO; W-203081; NCGC00178580-01; ZINC103574430; Myoinositol; ZINC100019018; NSC-103959; SCHEMBL13114116; UNII-1VS4X81277; 12513-EP2292610A1; AKOS015912934; NSC25142; Inosite; (1R,2R,3R,4R,5S,6S)-Cyclohexane-1,2,3,4,5,6-hexaol; BG00909558; 1,2,3,4,5,6-Cyclohexanehexol, (cis,cis,cis,trans,cis,trans)- #; BG01505582; NSC-127230; AK307531; Inositol, cis-; NSC 8101; 643-12-9; CHEBI:23311; MolPort-001-785-905; NSC-404118; KB-296111; 12513-EP2316831A1; K572; MolPort-003-719-862; Inositol, chiro-; Inositol (VAN8C; Isoinositol; I14-47230; GTPL4645; s4530; EINECS 211-394-0; 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE; CHEBI:22357; AK324051; Inositol [USAN:NF]; bmse000922; CDAISMWEOUEBRE-OQYPVSDDSA-N; DSSTox_RID_76890; NCGC00255362-01; 1VS4X81277; 1D-Chiro-inositol; chiro-inositol; BG01505565; 488-55-1; BG01505566; AKOS015960429; NSC103959; 576-63-6; SBI-0051369.P003; 1,2,4,5/3,6-cyclohexanehexol; I14-2742; 12513-EP2277880A1; AKOS015960633; J101.891D; A834712; Scyllitol; CHEBI:23927; KM0846; 1,2,3,4,5,6-Hexahydroxycyclohexane; Spectrum3_001053; HMS2091N13; MLS001332378; MolPort-001-742-552; NCIOpen2_008191; Cocositol; Phaseomannitol; Scyllite; myo-Inositol, 98% 100g; BSPBio_002606; KBio2_002075; FT-0693614; Inositol, United States Pharmacopeia (USP) Reference Standard; TR-017741; CCRIS 6745; STL453612; ZINC253837650; I0631; D03SHD; SCHEMBL6791918; 3635-EP2292088A1; AB00051982_13; CHEBI:17268; TR-022053; Iso-inositol; MFCD00077932; CTK8B3795; myo-Inositol, >=99%; GTPL4495; C19891; KSC225S4P; ZINC100073149; DSSTox_GSID_23146; MLS001335965; TL8004551; SMR000857319; bmse000102; AJ-26654; 887751-76-0; DB03106; UNII-9O6Y5O4P9W; 38876-99-2; myo-Inositol, BioUltra, >=99.5% (HPLC); Inositol, neo-; Matezodambose; 6R79WV4R10; I0040; Mesol; W-203392; NSC404118; 1,2,4/3,5,6-Cyclohexane-1,2,3,4,5,6-hexol; Rat antispectacled eye factor; Inositol FCC; 3635-EP2305682A1; 1,2,3,5/4,6-Cyclohexanehexol; BG01505593; cis-Inositol, >=98.0% (TLC); Tox21_302035; CDAISMWEOUEBRE-LOLGQZEGSA-N; 643-10-7; AKOS027327401; 1,2,4/3,5,6-Hexahydroxycyclohexane; 3635-EP2295417A1; CHEMBL278373; FT-0652045; 3635-EP2305677A1; 1,2,3,4,5,6-Cyclohexanehexol; Neo-inositol; (1s,2R,3R,4s,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol; Q-201583; Hexahydroxycyclohexane; SCHEMBL187278; (1S,2S,4S)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL; CHEMBL1231671; EINECS 207-682-0; I14-47232; 1D-myo-Inositol; CHEMBL468154; SCHEMBL13058696; SC-18136; 3635-EP2280282A1; DB13178; 3635-EP2289886A1; Spectrum_001595; Inositol, Pharmaceutical Secondary Standard; Certified Reference Material; NSC-757076; AKOS006240678; I14-60538; 12513-EP2374790A1; CJ-23964; AK102790; UNII-63GQX5QW03; INS; 87-89-8; Scyllite (for the structural isomer scyllo-Inositol); 2os9; CHEMBL1222251; I14-47231; MLS001335966; (1R,2R,3S,4R,5r,6S)-cyclohexane-1,2,3,4,5,6-hexaol; alloinositol; ANW-43204; 4irx; KS-1420; Inositol (VAN); inositols; 4L6452S749; C06153; (1R,2R,3R,4R,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol; Inosital; ZINC100037751; AB0014290; MEGxp0_001817; (1r,2R,3S,4r,5R,6S)-cyclohexane-1,2,3,4,5,6-hexol; Inositol, myo-; ELND 005; 13719-EP2311831A1; cyclohexane-1,2,3,4,5,6-hexol; FT-0627237; AKOS015912905; KS-0000146H; (+)-Chiro-Inositol; AC1L1A9E; L-(-)-chiro-Inositol, 95%; (1R,2R,3R,4S,5S,6R)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL; myo-Inositol, BioReagent, suitable for cell culture, suitable for insect cell culture, suitable for plant cell culture; 3635-EP2305636A1; C06151; 12513-EP2292597A1; myo-Inositol, purum, >=98.0% (HPLC); Inositol, scyllo-; MFCD00799555; 12513-EP2298768A1; NSC-25142; 1,2,3/4,5,6-cyclohexanehexol; MFCD00799556; cis-1,2,4-trans-3,5,6-Cyclohexanehexol; ST24024704; Inositol, myo- (8CI); SCHEMBL13114115; GTPL4649; Bios I; M01914; ST50406013; NSC127230; FT-0632209; ZINC250615063; AC1Q2AJJ; SR-05000001655; Mesoinosite; Muscle sugar; ZINC102201844; 6917-35-7; myo-Inositol, European Pharmacopoeia (EP) Reference Standard; 3635-EP2308879A1; Insitolum; D-myo-Inositol, Cell Culture Grade; I0630; Spectrum4_001193; epi-Cyclohexanehexol; SCHEMBL187796; NSC-45517; CDAISMWEOUEBRE-GPIVLXJGSA-N; 488-54-0; CC-093; 40032-EP2298312A1; ZINC1530357; 13719-EP2308875A1; CHEBI:27987; AN-24133; epi-Inositol; (1r,2R,3R,4s,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol; Pharmakon1600-01500352; CDAISMWEOUEBRE-GNIYUCBRSA-N; Tox21_111642; UNII-6R79WV4R10; 13719-EP2316836A1; SMR000857145; HMS2230N03; (1s,2s,3s,4s,5s,6s)-cyclohexane-1,2,3,4,5,6-hexol; mesoinositol; NCGC00159409-04; CHEBI:27372; CJ-05199; SCHEMBL6378921; AK115152; (1/4) inverted exclamation markIC; SCHEMBL491333; myo-Inositol, Vetec(TM) reagent grade, 99%; 3635-EP2275412A1; ELND005; NCGC00169828-01; I0632; EINECS 207-681-5; 3635-EP2295437A1; SCHEMBL14542470; MolPort-003-848-190; Muco-Inositol; D0Y4UQ; Epi-inositol, 98%; 1,2,3,4,5,6/0-cyclohexanetetrol; Mesovit; D-chiro-Inositol, >=98.0% (HPLC); TRA-0204644; 36190-90-6; NSC 25142; cis-Inositol; (1R,2R,3S,4R)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL; SCHEMBL12377889; cis-1,2,3,5-trans-4,6-Cyclohexanehexol; i-Inositol; L-Inositol; CHEBI:10642; 12513-EP2305825A1; Chiro-inositol, (-)-; Inositol, muco-; Quercinitol; M94176HJ2F; HY-B1411; SCHEMBL12711208; SCHEMBL13580047; CDAISMWEOUEBRE-CDRYSYESSA-N; scyllo-Cyclohexanehexol; ZINC101185827; Allo-inositol; Tox21_111642_1; HMS3373E05; 1,3,5/4,6-Cyclohexanehexol; EINECS 209-000-7; KS-1284; W-203168; 13719-EP2280010A2; Phaseomannite; EPIINOSITOL; (+)-Epi-Inositol; NSC45517; Inositol (NF); 6643AB; (1R,2R,3S,4S,5S,6S)-Cyclohexane-1,2,3,4,5,6-hexaol; SCHEMBL4748543; AK307315; 13719-EP2269977A2; 488-58-4; UNII-M94176HJ2F component CDAISMWEOUEBRE-LKPKBOIGSA-N; cis-1,3,5-trans-4,6-Cyclohexanehexol; SCHEMBL13114128; SCHEMBL6468882; UNII-587A93P465; scyllo-Inositol, >=98%; SMR000857320; D-chiro Inositol; AZD 103; SCHEMBL188237; SCHEMBL12411898; bmse000113; epi-Inositol, >=98.0% (HPLC); MLS001335967; 19030-27-4; AK307406; INOSITOL (L); KBio2_007211; Cyclohexane-1,2,3,4,5,6-hexaol; 41546-34-3; (1S,4S)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL; NSC8101; NSC-55551; 63GQX5QW03; (1R)-Cyclohexane-1r,2c,3t,4c,5t,6t-hexaol; myo -Inositol; ZINC306121118; D08DXZ; ST24049158; AX8234329; Inositol, epi-; TRA0065469; 551-72-4; 488-59-5; NSC55551; 1D7A27BF-6060-4FA9-AC46-3BD18DBA406E; 3635-EP2298312A1; Myoinosite; HMS2235M23; NSC-55552; Inositol [Nonspecific isomer]; A836375; SR-05000001655-5; myo-Inositol, SAJ special grade, >=99.0%; 13719-EP2298734A2; D-chiro-Inositol; HMS2235H05; AN-18118; (1S,2R,4R)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL; KBio3_001826; Inositol, meso-; ZINC103574467; AS-10616; CAS-87-89-8; Inositina; SCHEMBL959404; I0629; BG00909545; AmbotzGBB1246; EINECS 211-393-5; 1,3,5/2,4,6-cyclohexanehexol; EINECS 201-781-2; SCHEMBL5831; Meat sugar; neoinositol; 9O6Y5O4P9W; (-)-chiro-Inositol; 13719-EP2289891A2; AKOS015895894; 13719-EP2295437A1; (-)-Inositol; NSC55552; Cyclohexanehexol; Inosital (TN); Levoinositol; FT-0632208; BG01505583; cyclohexane-1R,2R,3S,4S,5R,6S-hexol; TL8004550; L-chiro-Inositol; Myo inositol; Spectrum5_000961; (1R,2S,3S,4R,5S,6r)-cyclohexane-1,2,3,4,5,6-hexol; myo-inositol; (1S,2R,4S)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL; MFCD00272608; MLS001332377; D08079; SCHEMBL12371461; meso-Inositol; D-myo-Inositol; Cyclohexitol; ZINC100018867; 1,2,3,4/5,6-cyclohexanehexol; D-(+)-chiro-Inositol, 95%; (1R,2R,3S,4S,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol; ACon1_002457; KBioGR_001885; NSC-8101; TR-019452; FT-0670357; AKOS015994742; ZINC100032893; NSC757076; CS-4782; allo-Inositol, 97%; AN-23658; Mesoinosit; KS-00000QA9; AKOS027320475; KBio2_004643; ZINC103574475; UNII-4L6452S749; SCHEMBL5969; ZINC100055570; 1,3,5/2,4,6-Hexahydroxycyclohexane; KS-000017FC; 3635-EP2298775A1; bmse000901; FCH1118762; NCGC00159409-03; R1Y9F3N15A; I14-101844; myo-Inositol, for microbiology, >=99.0%; I0633; Dambose; myo-Inositol, PharmaGrade, meets FCC testing specifications, Manufactured under appropriate controls for use as a raw material in pharma or biopharmaceutical production.; FT-0693444; 1-L-chiro-Inositol; (1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol; SR-05000001655-1; SCHEMBL188106; L-(-)-chiro-Inositol; L-myo-Inositol; 1,2,3,4,5,6-Cyclohexanehexaol; UNII-M94176HJ2F component CDAISMWEOUEBRE-SHFUYGGZSA-N; ZINC100513675; 173524-45-3; 643C129; NSC-55558; CCG-36096; Mouse antialopecia factor; FT-0632730; NSC55558; 8LQ63P85IC; I0628; MolPort-006-111-433; NCI60_041778; CDAISMWEOUEBRE-NIPYSYMMSA-N; KBioSS_002075; C00137; CBU; 220128F1-89BF-442D-AD6D-E6D1EA7BA625; UNII-R1Y9F3N15A; D0B1EY; 1,2,3,5-trans-4,6-Cyclohexanehexol, cis-; MolPort-003-933-930; 587A93P465; CHEBI:25492; NSC 404118; UNII-M94176HJ2F; MCULE-2727773046; J101.890F; HMS3369F20; SCHEMBL5832; UNII-8LQ63P85IC; 12513-EP2277881A1; UNII-4661D3JP8D; 53319-35-0; MLS001335968; 1,2,3,4,5,6-Cyclohexanehexol #; myo-Inositol, p.a., 98.0%; meso-(1/4) inverted exclamation mark (1/4); AC-11070; SCHEMBL959405; NCGC00178580-03; (1r,2R,3S,4s,5R,6S)-cyclohexane-1,2,3,4,5,6-hexol; I06-1350; 1L-Chiro-inositol; SCHEMBL1055883; Nucite; LS-2350; RP24128; 1,2,3,4,5/6-cyclohexanehexol; GTPL4648; Epitope ID:144993; SCHEMBL12735687; AKOS006332036; Inositol NF 12; MFCD00003863; AK546883; 1,2,4/3,5,6-cyclohexanehexol; 13719-EP2298775A1; EINECS 230-024-9; W-202862; (1R,2R,3S,4S,5S,6R)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL; NCGC00159409-02; 4661D3JP8D; 1L-myo-Inositol; Scyllo-inositol; C06152; Chiro-inositol, (+)-; Inositol, i-; CHEMBL1950780; 1,2,3,4,5,6-cyclohexanhexol; 1,2,3,4,5,6-cyclohexanehexol, (1alpha,2alpha,3alpha,4beta,5alpha,6beta); D-(+)-Chiro Inositol; SC-91157; KS-00001315; NP-010162; I14-47229; VC30505; 4CH-024633; KB-251247; MFCD00065455; (1R,2R,3S,4R,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol; CDAISMWEOUEBRE-UHFFFAOYSA-N; ZINC100024490; Inositol, allo-; AI3-16111; Ambap6917-35-7; HMS3369B06; 7B0CEF84-D9CE-4A88-AA7D-EC50C89387A5; 1,3,4,5,6-Cyclohexanehexol; inositol; W-202861; SCHEMBL187397; DSSTox_CID_3146; ZINC100035580; 40032-EP2311830A1; 12513-EP2298744A2; K-9876; INOSITOL, MESO; CHEBI:24848; bmse000103; TR-016439; SCHEMBL13207905; (+)-Inositol; CHEMBL122705;cocositol;D-myo-inositol | C6H12O6 | 180.16 g/mol | C1(C(C(C(C(C1O)O)O)O)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 |
| 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 |
| TCMBANKIN058328 | benzyl cyanide;WLN: NC1R; | benzylcyanide; Acetic acid, phenyl-nitrile; CAS-140-29-4; ST51017243; NSC118418; Benzylkyanid [Czech]; Toluene, .alpha.-cyano-; .alpha.-Cyanotoluene; 140-29-4; AI3-04975; BnCN; ACMC-1C0PN; DTXSID2021492; .alpha.-Tolunitrile; KSC175C3P; AKOS000118943; alpha-Cyanotoluene; MCULE-3500109780; UN 2470; phenylacetonitile; benzene-acetonitrile; Phenylacetonitrile, liquid [UN2470] [Poison]; Toluene, alpha -cyano-; CTK0H5137; Z57131036; Benzeneacetonitrile; AN-23174; EC 205-410-5; C8H7N; P0128; CHEMBL3560735; Phenyl acetyl nitrile; 2-phenylethanenitrile; Tox21_200217; 2-phenyl-acetonitrile; AS01366; UNII-23G40PRP93; EINECS 205-410-5; alpha -cyano-; Benzylkyanid; LABOTEST-BB LT00891699; WLN: NC1R; KB-47802; NSC 118418; NCGC00090854-01; Benzyl cyanide, 98%; UN2470; 23G40PRP93; DEA Code 8735; NCGC00257771-01; Toluene, alpha-cyano-; PubChem20468; 56620-16-7; benzene acetonitrile; .omega.-Cyanotoluene; DSSTox_CID_1492; BENZYL CYANIDE; LS-817; AC1L1RPP; OTAVA-BB 1519434; Phenylacetonitrile, liquid [UN2470] [Poison]; Acetonitrile, phenyl-; 2-Phenylacetonitrile; HSDB 2103; alpha -tolunitrile; DB-004016; KS-000000HS; Benzylnitrile; benzyl-cyanide; J-519675; Phenylacetonitrile, liquid; omega-Cyanotoluene; NSC3407; Phenylacetonitrile; Benzyl nitrile; C16074; phenylacteonitrile; AC1Q4S1D; USAF KF-21; A-TOLUNITRILE; SUSQOBVLVYHIEX-UHFFFAOYSA-N; Benzyl cyanide, >=99%; A807640; TRA0004632; SBB058386; RTC-061401; Phenacetonitrile; cyano(phenyl)methyl; CHEBI:25979; alpha-Cyano-Toluene; SC-26879; FT-0657342; Benzeneacetonitrile, 9CI; NSC-3407; S01-0547; ZINC1666748; Phenyl-acetonitrile; enzylcyanide; Benzyl cyanide, analytical standard; ANW-20559; DSSTox_RID_76184; alpha-phenylacetonitrile; CJ-26987; MFCD00001894; NSC-118418; laquo Omegaraquo -cyanotoluene; InChI=1/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H; Cyanophenylmethane; SCHEMBL37831; F0001-0481; CCRIS 4698; DSSTox_GSID_21492; alpha -cyanotoluene; NCGC00090854-02; alpha-Tolunitrile; RP19286; (Cyanomethyl)benzene; MolPort-001-768-890;Acetic acid, phenyl-nitrile; Benzeneacetonitrile; omega-cyanotoluene; Toluene, alpha-cyano-; Usaf kf-21; NSC118418; 185728_ALDRICH; Benzylkyanid [Czech]; CHEBI:25979; 13300_FLUKA; .omega.-Cyanotoluene; Phenyl acetyl nitrile; Toluene, .alpha.-cyano-; c0647; Phenyl-acetonitrile; .alpha.-Cyanotoluene; 140-29-4; AI3-04975; Acetonitrile, phenyl-; 2-Phenylacetonitrile; EINECS 205-410-5; HSDB 2103; .alpha.-Tolunitrile; B19401_ALDRICH; alpha-Cyanotoluene; Benzylnitrile; InChI=1/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H; Phenylacetonitrile, liquid; CCRIS 4698; Benzyl cyanide; NSC3407; Phenylacetonitrile; Benzyl nitrile; NSC 118418; Phenylacetonitrile, liquid [UN2470] [Poison]; alpha-Tolunitrile; ZINC01666748; C16074; NCGC00090854-01; UN2470; (Cyanomethyl)benzene;phenylacetonitrile;Benzyl nitrile | C8H7N | 117.15 g/mol | C1=CC=C(C=C1)CC#N |
| 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 |
| TCMBANKIN058348 | Benzenepropanol | phenylpropyl alcohol;benzylethyl-alcohol;NCGC00165987-01; 3-Benzenepropanol; Hydrocinnamyl alcohol; 3-Phenylpropan-1-ol; 1-Propanol, 3-phenyl-; BRN 1857542; 4-06-00-03198 (Beilstein Handbook Reference); FEMA No. 2885; gamma-Phenylpropanol; (3-Hydroxypropyl)benzene; 3-Phenylpropanol; Hydrocinnamic alcohol; .gamma.-Phenylpropanol; NSC 16942; NSC16942; 3-Phenyl-n-propanol; 1335-12-2; EINECS 215-621-4; 79000_FLUKA; EINECS 204-587-6; AI3-02067; benzene propanol; .gamma.-Phenylpropyl alcohol; 3-Phenylpropyl alcohol; CCRIS 3200; 3-Phenyl-1-propanol (natural); W288500_ALDRICH; Phenylpropyl alcohol; InChI=1/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H; 3-Phenyl-1-propanol; 140856_ALDRICH; Dihydrocinnamal alcohol; ZINC01571261; 1-Propanol, phenyl-; 122-97-4; 1-Hydroxy-3-phenylpropane; 3-PHENYL-PROPAN-(1)-OL; Benzylethyl alcohol; 3-Phenylpropanol-1 | C9H12O | 136.19 | C1=CC=C(C=C1)CCCO |
| TCMBANKIN058351 | phenethyl alcohol | 12472-EP2311801A1; CHEBI:49000; .beta.-Fenylethanol; ACMC-1AZIH; HMS2093H05; ML9LGA7468; Phenylethyl alcohol; Q-200318; Methanol, benzyl-; BC213746; b-pea; Mellol; NSC 406252; DSSTox_CID_6342; SC-46713; CAS_60-12-8; 47427-EP2374783A1; 196135-EP2277872A1; 66877-EP2298772A1; beta-Phenylethyl alcohol; 1321-27-3; AC1Q1HG6; SR-01000763553-2; phenyl-ethanol; KB-59529; .beta.-Fenethylalkohol; .beta.-Hydroxyethylbenzene; DSSTox_GSID_26342; beta-Phenylethanol; AC-18484; 47427-EP2308877A1; 66877-EP2270505A1; AKOS000249688; NCGC00257347-01; ANW-13578; SCHEMBL1838; Benzeneethanol; Phenethyl alcohol; FEMA 2858; I01-4509; .beta.-Phenylethanol; NSC-759116; 2-PHENYLETHANOL; LS-2335; AK-59815; Z234896351; 2-Phenylethanol, 98% 250g; BDBM85807; Benzyl carbinol; 2-PEA; benzene-ethanol; Benzenethanol; 12472-EP2316826A1; 2-PhenyIethanol; Phenethylalcohol; 66877-EP2292612A2; AB00698274_05; AC1L1LP9; Phenylethyl Alcohol, Pharmaceutical Secondary Standard; Certified Reference Material; 37330-EP2284157A1; Phenyl ethyl alcohol; 2-phenyl-1-ethanol; AN-23631; .beta.-PEA; FT-0613332; 2-phenyl ethanol; NCGC00166215-03; AC1Q7CJQ; Phenethyl alcohol, 8CI, BAN; MLS001066349; .beta.-Phenethanol; 0DE4CADC-AB8A-4038-BD6F-EBD009885652; DB02192; beta-Fenylethanol; NSC-406252; RTR-037232; 66877-EP2295406A1; HMS2233H06; NCGC00258874-01; EC 200-456-2; Pharmakon1600-01505398; S992; NCGC00166215-01; SR-01000763553; .beta.-Phenylethyl alcohol; NE10237; SBI-0206858.P001; EBD2219942; BRN 1905732; UNII-ML9LGA7468; 66877-EP2308839A1; CS-B1821; SBB040879; PHENYLETHYL, B- ALCOHOL; NSC759116; P0084; 47427-EP2311834A1; AS00558; Tox21_201322; EINECS 200-456-2; .beta.-P.E.A.; MCULE-8439044075; NSC_6054; 53355-62-7; Ethanol, 2-phenyl-; 37330-EP2311802A1; NCGC00166215-02; KS-00000WSD; beta -hydroxyethylbenzene; Tox21_113544; ST50214476; Phenylethyl alcohol (USP); 37330-EP2311803A1; MolPort-000-872-041; 47427-EP2295427A1; DTXSID9026342; Benzeneethanol, 9CI; .beta.-Phenethyl alcohol; Phenylethyl alcohol [USP]; 196135-EP2272973A1; NSC406252; FEMA Number 2858; Phenyl Ethanol(Natural); Benzyl-Methanol; WRMNZCZEMHIOCP-UHFFFAOYSA-N; STL281950; NCGC00166215-05; AC1Q7CJR; 47427-EP2295426A1; 2-Phenylethanol, >=99.0% (GC); Phenylethyl alcohol, United States Pharmacopeia (USP) Reference Standard; 2-Phenylethyl alcohol; ZB015067; Caswell No. 655C; HSDB 5002; WLN: Q2R; Phenylethanol; beta-Fenylethanol [Czech]; beta-Fenethylalkohol [Czech]; Tox21_113544_1; STOCK1N-73254; EN300-19347; KSC237A2B; Rose oil (Salt/Mix); 2-hydroxy-1-phenylethyl; Phenylethyl, beta- alcohol; 2-Hydroxyethylbenzene; 37330-EP2371814A1; 2-Phenethyl alcohol; 47427-EP2305673A1; 2-Phenylethanol, USP; MFCD00002886; CAS-60-12-8; TR-037232; Phenethyl alcohol, >=99%, FCC, FG; 196135-EP2272972A1; C05853; A832606; 2-Phenethanol; 66877-EP2281823A2; W6811; Benzylmethanol; CHEMBL448500; beta-PEA; bmse000659; EPA Pesticide Chemical Code 001503; 2-PHENYL-ETHANOL; PEL; 2-Phenylethanol, 99%; 4-06-00-03067 (Beilstein Handbook Reference); 1-Phenyl-2-ethanol; AI3-00744; D00192; beta-Fenethylalkohol; Hydroxyethylbenzene; Tox21_303383; 12472-EP2372017A1; Benzylcarbinol; betaphenylethyl alcohol; 12472-EP2287158A1; FEMA No. 2858; 2-(2-Hydroxyethyl)benzene; 2-Phenylethan-1-Ol; Benzyl ethyl alcohol; Phenethanol; DSSTox_RID_78104; F0001-1575; Phenethyl alcohol, natural, >=99%, FCC, FG; CCG-213419; b-Hydroxyethylbenzene; HMS3374P04; ZINC895934; Phenylethyl alcohol, USAN; InChI=1/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H; SMR000059156; RL04267; MLS001336026; Phenethyl alcohol (natural); 1960/12/8; 66877-EP2298731A1 | C8H10O | 122.16 g/mol | C1=CC=C(C=C1)CCO |
| 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 |
| TCMBANKIN058356 | benzyl benzoate | BSPBio_003494; Benzylester kyseliny benzoove [Czech]; Scabitox; NCGC00094981-05; Ascabin; Benzyl benzoate, SAJ first grade, >=98.0%; Antiscabiosum; Peruscabina; MLS001336003; Spectrum2_000532; KBio1_000204; s4599; NCGC00258889-01; Vanzoate; Benzoic acid, phenylmethyl ester; MolPort-001-740-297; CTK0H4808; Benzyl benzenecarboxylate; Venzonate; NCGC00094981-01; NCGC00094981-02; Benzyl phenylformate; NINDS_000204; CAS-120-51-4; NCGC00094981-07; Scabiozon; D01138; CHEMBL1239; Ascabiol; Venzoate; Benylate (TN); Benzyl benzoate, natural, >=99%, FCC, FG; Benzyl benzoate, meets USP testing specifications; ANW-17509; CHEBI:41237; SESFRYSPDFLNCH-UHFFFAOYSA-N; NSC8081; Scobenol; Tox21_111372; Caswell No. 082; Benzyl benzoate, Pharmaceutical Secondary Standard; Certified Reference Material; BENZOIC ACID,BENZYL ESTER; Spasmodin; 1dzm; Pharmakon1600-01503002; HSDB 208; DSSTox_RID_78686; AB00052298_07; SMR000471875; Benzyl alcohol benzoic ester; Spectrum3_001757; SCHEMBL3038; C-24290; InChI=1/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H; WLN: RVO1R; AC-17033; NSC 8081; B0064; Spectrum5_001128; KB-75431; AC1L1DH0; Novoscabin; SR-01000763773-2; Peruscabin; Tox21_201337; FEMA Number 2138; SPBio_000543; NCGC00094981-04; NSC-758204; DTXSID8029153; Acarobenzyl; Benzyl benzoate, >=99%; HMS2269D24; DB00676; DB-041563; BZM; KBioSS_001720; KS-00000UHX; Tox21_111372_1; Benzoic acid-benzyl ester (Benzyl benzoate); Q-200696; RL00855; Benzoesaeurebenzylester; Benzyl benzoate [USAN:JAN]; MLS001066412; Benzyl benzoate, SAJ special grade, >=99.0%; benzylbenzoate; Benzoate de benzyle; MFCD00003075; CCG-39578; Benzyl benzoate 99+ %; N863NB338G; Benzoesaurebenzylester; FEMA No. 2138; Scabide; Colebenz; Benzyl benzoate, ReagentPlus(R), >=99.0%; FT-0622708; SR-01000763773; Benzylbenzenecarboxylate; Benzyl ester; HMS500K06; HMS2092F20; AC1Q661C; Benzyl benzoate, for synthesis, 99.0%; NCGC00257502-01; EPA Pesticide Chemical Code 009501; ZINC1021; CC-24472; Benzylum benzoicum; Tox21_303418; MCULE-4369643785; BG01519431; Benzoic acid phenylmethyl ester; BDBM50134035; benzylbenzoat; DSSTox_GSID_29153; EC 204-402-9; Benzylets; I14-6951; benzoic acid benzyl; SBI-0051748.P002; 120-51-4; Scabanca; LS-2573; ST50406335; Benzyl benzoate, United States Pharmacopeia (USP) Reference Standard; DSSTox_CID_9153; KBio2_004288; Scabagen; ZB000222; KBio2_006856; D0G1VX; NSC-8081; Benzoic acid benzyl ester; FCH2703790; 4-09-00-00307 (Beilstein Handbook Reference); C12537; Spectrum4_000773; Benzyl benzoate, certified reference material, TraceCERT(R); A19449; Benzyl benzoate, tested according to Ph.Eur.; Benzoic acid, benzyl ester; Benzevan; AN-22825; Benzyl benzoate [USP:JAN]; KBio2_001720; Benzyl benzoate (natural); NCGC00094981-03; Benzylester kyseliny benzoove; DivK1c_000204; ACMC-1C8AP; SBB058609; SPECTRUM1503002; RTR-003391; HMS1921P16; IDI1_000204; KBio3_002714; KSC174Q0R; Benzoic acid benzyl ester; Benzoic acid phenylmethyl ester; UNII-N863NB338G; TR-003391; Spectrum_001240; BENZYL BENZOATE; Benzyl benzoate, 99% 250g; Benzylis benzoas; Benzyl benzoate (JP17/USP); Benzoic acid-benzyl ester 5000 ng/microl in n-Hexane; MLS001336004; AI3-00523; CHM0028580; EINECS 204-402-9; Phenylmethyl benzoate; HY-B0935; AKOS003495939; BENZOIC ACID PHENYLMETHYLESTER; NSC758204; Benylate; BENZYL BENZOATE BP98; Benzyl benzoat; Benzyl benzoate, analytical standard; KBioGR_001186; Benzyl benzoate, >=99%, FCC, FG; Benzyl benzoate, Vetec(TM) reagent grade, 98%; BRN 2049280;benzyl benzenecarboxylate;BZM | C14H12O2 | 212.24 g/mol | C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2 |
| 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 |
| TCMBANKIN058839 | Farnesol acetate | (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate; [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] acetate; acetic acid 3,7,11-trimethyldodeca-2,6,10-trienyl ester; InChI=1/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3/b15-10+,16-12; 2,6,10-dodecatrien-1-ol, 3,7,11-trimethyl-, acetate, (2E,6E)-; All-trans-Farnesyl acetate; farnesol acetate; 4128-17-0; 3,7,11-Trimethyl-2,6,10-dodecatrienyl acetate; 340480_ALDRICH; 29548-30-9; NSC132958; AI3-33837; 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, acetate; (E,E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol acetate; 3,7,11-Trimethyldodeca-2,6,10-trienyl acetate; [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] ethanoate; 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, acetate, (E,E)-; (E,E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-yl acetate; acetic acid [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] ester; 3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol acetate; 3,7,11-trimethyldodeca-2,6,10-trienyl ethanoate; trans,trans-Farnesyl acetate; 45895_FLUKA; EINECS 249-689-1; ZINC01719908; 3,7,11-Trimethyl-2,6,10-dodecatrien-1-yl acetate; NSC 132958;trans,trans-farnesyl acetate;Farnesyl acetate;Tox21_302688; AKOS025295075; (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate; ACM29548309; D5ZJ1FOC2I; [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] acetate; Farnesyl acetate, 95%, mixture of cis and trans; MolPort-002-135-206; trans-2-trans-6-Farnesyl acetate; (2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl acetate; 162327-52-8; Farnesol acetate; ST50826011; UNII-D5ZJ1FOC2I; E,E-Farnesyl Acetate; Farnesyl acetate, mixture of isomers; S14-1289; (E,E)-farnesyl acetate; InChI=1/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3/b15-10+,16-12; 2-trans-6-trans-Farnesyl acetate; MFCD00036516; acetic acid [(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] ester; TR-012831; 2,6,10-dodecatrien-1-ol, 3,7,11-trimethyl-, acetate, (2E,6E)-; Farnesyl acetate, technical, mixture of isomers; All-trans-Farnesyl acetate; LMFA07010230; [(E,E)-3,7,11-Trimethyl-2,6,10-dodecatriene-1-yl]ester of acetic acid; ZGIGZINMAOQWLX-NCZFFCEISA-N; (E)-Farnesyl acetate; DTXSID5047110; trans, trans-Farnesyl acetate; DSSTox_GSID_47110; farneoylacetate; 4128-17-0; 3,7,11-Trimethyl-2,6,10-dodecatrienyl acetate; trans,trans-Farnesyl acetate, 95%; Farnesyl acetate, (E,E)-; A819958; 29548-30-9; NSC132958; DSSTox_CID_27110; Acetic acid (6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl ester; (cis,trans)-Farnesyl acetate; (E,E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol acetate; [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] ethanoate; AC1LCWI8; 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, acetate, (E,E)-; UNII-2ARF3ZNJ1R component ZGIGZINMAOQWLX-NCZFFCEISA-N; (E,E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-yl acetate; acetic acid [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] ester; AC1Q65TN; J-500791; (2E,6Z)-1-Acetoxy-3,7,11-trimethyl-2,6,10-dodecatriene; trans,trans-Farnesyl acetate; farnesyl acetate; farnesyl acetate, No Antioxidant; [(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] ethanoate; 1192109-55-9; 3,11-Trimethyl-2,6,10-dodecatrienyl acetate; (2Z,6Z)-3,7,11-Trimethyl-2,6,10-dodecatriene-1-ol acetate; Farnesyl acetate, (2E,6E)-; (2E,6E)-Farnesyl acetate; trans2,trans6-Farnesyl acetate; DSSTox_RID_82120; 2,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, acetate; NCGC00256905-01; CHEMBL3184169; ZINC1719908; CAS-4128-17-0; [(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] acetate; NSC-132958 | C17H28O2 | 264.4 g/mol | CC(=CCCC(=CCCC(=CCOC(=O)C)C)C)C |
| TCMBANKIN058848 | geraniol acetate | 75157-67-4; (E)-3,7-dimethyl-2,6-octadien-1-yl ace tate; SCHEMBL6569468; 3,7-Dimethyl-trans-2,6-octadien-1-yl acetate; 3,7-dimethyl-2-trans,6-octadienyl acetate; LS-392; (E)-3,7-dimethyl-2,6-octadien-1-ol acetate; (1E/Z)-acetic acid 2,6-dimethylhepta-1,5-dienyl ester; geranoil acetate; geranylacetate; geranyl acetate | C11H18O2 | 182.26 g/mol | CC(=CCCC(=COC(=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 |
| TCMBANKIN059127 | 3-methyl butanone | MIPK; EINECS 209-264-3; NSC 9379; 3-Methyl-2-butanone; WLN: 1Y1&V1; 59600_FLUKA; Methylbutanone (VAN); Methylbutanone; 2-Acetylpropane; 2-Methyl-3-butanone; 3-Methylbutan-2-one [UN2397] [Flammable liquid]; 3-methylbutan-2-one; 3-Methyl butanone; Caswell No. 555A; Methyl isopropyl ketone; Methyl butanone-2; EPA Pesticide Chemical Code 044104; Isopropyl methyl ketone; InChI=1/C5H10O/c1-4(2)5(3)6/h4H,1-3H; 537721_SIAL; 46212_RIEDEL; 563-80-4; 2-Butanone, 3-methyl-; UN2397; ZINC01699949; 3-Methylbutanone; 52325-52-7; NSC9379; 2-Acetyl propane; 2-BUTANONE,3-METHYL METHYL ISOPROPYL KETONE; AI3-24194; Ketone, isopropyl methyl | C5H10O | 86.13 g/mol | CC(C)C(=O)C |
| TCMBANKIN059354 | citronellol | CHEBI:10360; 3,7 Dimethyl-6-octen-1-al; D-Dihydrogeraniol; MCULE-3946157075; (R)-Citronellol; 3,7-Dimethyl-(3R)-6-Octen-1-ol; FT-0623966; EINECS 214-250-5; AKOS028108897; FT-0772868; (+)-R-Citronellol; (+)-; (3S)-citronellol; (R)-3,7-Dimethyl-6-octen-1-ol; (+)-beta-Citronellol; (R)-beta-Citronellol; D-Citronellol; (R)-(+)-beta-Citronellol; ( inverted exclamation markA)-; (R)-(+)-beta-Citronellol, 98%; AN-20579; DB-060123; 6-Octen-1-ol, 3,7-dimethyl-, (R)-; (+)- -Citronellol; A-Citronellol; AI3-00204; LMPR0102010008; P01OUT964K; b-citronellol; SCHEMBL21321; AC1L2RWB; 3,7-Dimethyl-6-octen-1-ol #; CJ-05233; ZINC1531601; (+)-citronellol; UNII-P01OUT964K; 6-Octen-1-ol, 3,7-dimethyl-, (theta)-; NCGC00249168-01; l-Citronellol; (R)-(+)- -Citronellol; QMVPMAAFGQKVCJ-SNVBAGLBSA-N; CITRONELLOL 70; MFCD00063215; (3R)-3,7-dimethyloct-6-en-1-ol; UNII-565OK72VNF component QMVPMAAFGQKVCJ-SNVBAGLBSA-N; (R)-3,7-Dimethyloct-6-en-1-ol; J-511419; (R)-(+)-; (R)-(+)-.beta.-Citronellol; CHEMBL1907993; (R)-(+)-beta -Citronellol; MolPort-002-535-711; 6-Octen-1-ol, 3,7-dimethyl-, (3R)-; CITRONELLOL 95; AC1Q7BSO; CIRTONELLOL 90/92; 3,7-Dimethyl-(R)-6-Octen-1-ol; FT-0623965; beta-Citronellol, (R)-; CJ-24101; (R)-3,7-dimethyl-6-octenol; C09849; (R)-(+)-Citronellol; 1117-61-9; A-Citronellol3,7-Dimethyl-6-octen-1-ol; STOCK1N-68491 CHEBI:10360; EINECS 214-250-5; (R)-3,7-Dimethyl-6-octen-1-ol; 303461_ALDRICH; (R)-()-beta-Citronellol; 6-Octen-1-ol, 3,7-dimethyl-, (R)-; AI3-00204; β- citronellol; 6-Octen-1-ol, 3,7-dimethyl-, (theta)-; LMPR01020056; (3R)-3,7-dimethyloct-6-en-1-ol; ZINC01531601; (R)-3,7-Dimethyloct-6-en-1-ol; 6-Octen-1-ol, 3,7-dimethyl-, (3R)-; 106-22-9; C09849; (R)-(+)-Citronellol; 1117-61-9; STOCK1N-68491 C11386; (3S)-3,7-dimethyloct-6-en-1-ol; 303488_ALDRICH; LMPR01020076; LS-2078; Citronellol (ex. Java citronella oil) (natural); (-)-Citronellol; NSC 8779; CCRIS 7452; W509205_ALDRICH; 1335-43-9; EINECS 203-375-0; Citronellol (natural); (−)-beta-Citronellol; (S)-3,7-Dimethyl-6-octen-1-ol; (S)-(−)-beta-Citronellol; BRN 1721507; ZINC01532246; 7540-51-4; AI3-25080; 26489-01-0; 4-01-00-02188 (Beilstein Handbook Reference); FEMA No. 2309; 27483_FLUKA;beta-Citronellol; beta-Rhodinol; cephrol | C10H20O | 156.27 | CC(CCC=C(C)C)CCO |
| TCMBANKIN059355 | citronellyl acetate | BSPBio_003127; KBioGR_002371; Spectrum5_000468; Spectrum2_000692; KBio1_001487; SPECTRUM310030; ZINC01680438; DivK1c_006543; Spectrum4_001874; KBio2_006799; KBio3_002347; SpecPlus_000447; acetic acid [(3R)-3,7-dimethyloct-6-enyl] ester; Spectrum_001183; [(3R)-3,7-dimethyloct-6-enyl] ethanoate; SPBio_000843; KBioSS_001663; SDCCGMLS-0066592.P001; Spectrum3_001344; KBio2_001663; KBio2_004231;6-Octen-1-ol,3,7-dimethyl-,acetate;itronellol acetate;[(3R)-3,7-dimethyloct-6-enyl] acetate;AJ-33256; (-)-3,7-Dimethyloct-6-enyl acetate; 6-Octen-1-ol, 3,7-dimethyl-, 1-acetate, (3S)-; UNII-78RZL4H51H; Citronellol acetate, (S)-; (s)-citronellyl acetate; CJ-32447; 67601-05-2; CJ-07629; UNII-IZ420RT3OY component JOZKFWLRHCDGJA-NSHDSACASA-N; ZINC2040946; EINECS 266-767-0; [(3S)-3,7-dimethyloct-6-enyl] acetate; AC1OE5SZ; 6-Octen-1-ol, 3,7-dimethyl-, acetate, (3S)-; (?)-Citronellol acetate; 78RZL4H51H | C12H22O2 | 198.3 g/mol | CC(CCC=C(C)C)CCOC(=O)C |
| TCMBANKIN059438 | 2-methoxy-4-propenyl phenol | C10H12O2 | 164.2 g/mol | CC=CC1=CC(=C(C=C1)O)OC | |
| 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 | |
| TCMBANKIN059587 | inalool oxide | C10H18O2 | 170.25 g/mol | CC1(CCC(O1)C(C)(C)O)C=C | |
| TCMBANKIN059631 | Cauloside A | C35H56O8 | 604.8 g/mol | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(CO6)O)O)O)C)C)C2C1)C)C(=O)O)C | |
| TCMBANKIN059724 | Phenol, 2-methyl-5-(1-methylethyl) | C10H14O | 150.22 g/mol | CC1=C(C=C(C=C1)C(C)C)O | |
| TCMBANKIN059726 | carvacrol acetate | C12H16O2 | 192.25 g/mol | CC1=C(C=C(C=C1)C(C)C)OC(=O)C | |
| TCMBANKIN059985 | alpha-terpinol | C10H18O | 154.25 g/mol | CC1=CCC(CC1)C(C)(C)O | |
| TCMBANKIN060176 | naringin;Naringenin- 7- O- β- D- neohesperidoside | C27H32O14 | 580.53 | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O | |
| TCMBANKIN060204 | 3β-o-(β-d-glucopyranosyl-(1→3)-α-l-rham-nopyranosyl-(1→2)-α-l-arabinopyranosyl)-hederagenin-28-o-(β-d-glucopyranosyl-(1→4)-β-d-glucopyranosyl)ester;3-o-beta-d-glucopyranosyl-(1-3)-alpha-l-rhamnopyranosyl-(1-2)-alpha-l-arabinopyranosyl hederagenin 28-o-beta-d-gluco-pyranosyl-(1-6)-beta-d-glucopyranosyl ester(vii);Macranthoidin A | C59H96O27;C65H106O32 | 1399.52 | CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)CO)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O)C)C)C)O)O)O)OC1C(C(C(C(O1)CO)O)O)O)O | |
| TCMBANKIN060320 | Loniceracetalide B | C21H32O11 | 460.5 g/mol | CC1C(OC(O1)CC2C(C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)C=C)C | |
| TCMBANKIN060638 | 2-methylbutanoic acid | C5H10O2 | 102.13 | CCC(C)C(=O)O | |
| TCMBANKIN060679 | stigmasterol | C29H48O | 412.7 g/mol | CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C | |
| TCMBANKIN060680 | stigmasterol-3-glucoside | C35H58O6 | 574.83 g/mol | CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C | |
| TCMBANKIN060691 | poriferast-5-en-3beta-ol;22,23-dihydrostigmasterol;gamma-sitosterol;clionasterol;beta-dihydrofucosterol | C29H50O | 414.71 g/mol | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)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 | |
| TCMBANKIN060705 | methyl linoleate | C19H34O2 | 294.47 | CCC=CCC=CCC=CCCCCCCCC(=O)OC | |
| TCMBANKIN060706 | Linolenic acid ethyl ester | C20H34O2 | 306.48 | CCC=CCC=CCC=CCCCCCCCC(=O)OCC | |
| TCMBANKIN060711 | 3-methyl-2-(2-pentenyl)-2-cyclopenten-1-one | C11H16O | 164.24 g/mol | CCC=CCC1=C(CCC1=O)C | |
| TCMBANKIN060803 | pentanoic acid | C5H10O2 | 102.13 g/mol | CCCCC(=O)O | |
| TCMBANKIN060813 | 1-hexene | C6H12 | 84.16 g/mol | CCCCC=C | |
| TCMBANKIN061036 | methyl pentadecanoate | C16H32O2 | 256.42 | CCCCCCCCCCCCCC(C)C(=O)O | |
| TCMBANKIN061071 | Ethylpalmitate | C18H36O2 | 284.5 g/mol | CCCCCCCCCCCCCCCC(=O)OCC | |
| TCMBANKIN061072 | Glycerol alpha-Monopalmitate | C19H38O4 | 330.5 g/mol | CCCCCCCCCCCCCCCC(=O)OCC(CO)O | |
| TCMBANKIN061091 | stearic acid | CH3(CH2)16COOH | 284.5 g/mol | CCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061093 | ethyloctadecanoate | C20H40O2 | 312.5 g/mol | CCCCCCCCCCCCCCCCCC(=O)OCC | |
| TCMBANKIN061119 | docosanoic acid,methyl ester | C23H46O2 | 354.61 g/mol | CCCCCCCCCCCCCCCCCCCCCC(=O)OC | |
| TCMBANKIN061128 | n-tetracosanoic acid | C24H48O2 | 368.64 g/mol | CCCCCCCCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061134 | Hexacosanoic acid | C26H52O2 | 396.7 g/mol | CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061194 | 1-hexanol | C6H14O | 102.17 g/mol | CCCCCCO | |
| TCMBANKIN061351 | Insularine | insularine; UNII-60I96OKL0W; O-Methylinsulanoline; 60I96OKL0W; 549-07-5; 6,9-(Epoxymethano)-8,11:20,23-dietheno-1H,12H-(1,10)dioxacyclooctadecino(2,3,4-ij:11,12,13-i'j')diisoquinoline, 2,3,12a,13,14,15,24,24a-octahydro-5,17,18-trimethoxy-1,13-dimethyl-, (12aR,24aR)-; Insularine [MI] | C38H40N2O6 | 620.7 g/mol | CN1CCC2=CC(=C3C4=C2C1CC5=CC=C(C=C5)OC6=C7C(CC8=CC(=C(O4)C=C8)CO3)N(CCC7=CC(=C6OC)OC)C)OC |
| TCMBANKIN061399 | 4-dicaffeoylquinic acid methyl ester | 3,4-di-o-caffeoylquinicacid methyl ester; 3,4-di-O-caffeoyl quinic acid methyl ester;4,5-di-O-caffeoylquinic acid methyl ester;macranthoin f | C26H26O12 | 530.52 g/mol | COC(=O)C1(CC(C(C(C1)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O |
| TCMBANKIN061494 | nobiletin | Spectrum4_001020; 38664-96-9; 7-(2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy)-2,3-dihydro-4',5,7-trihydroxyflavone; CHEBI:28819; UNII-N7TD9J649B; MCULE-5348711723; SDCCGMLS-0066776.P001; N7TD9J649B; cid_442428; 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-4-chromenone; 5-Hydroxy-2-(4-hydroxyphenyl)-7-(2-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyloxy)-4-chromanon; EINECS 233-566-4; (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one; Naringenin 7-Rhamnoglucoside; 30552-25-1; BSPBio_000574; NCGC00142617-03; MEGxp0_000930; HMS2231M18; J10148; GTPL4738; CS-5632; BDBM50241582; NCGC00142617-02; CCG-208591; 10236-47-2; 7-(2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy)-2,3-dihydro-4,5,7-trihydroxyflavone;Naringin; (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one; AIDS-003056; HY-N0153; (2S)-7-[(2S,4S,5S,3R,6R)-3-((2S,6S,3R,4R,5R)-3,4,5-trihydroxy-6-methyl(2H-3,4, 5,6-tetrahydropyran-2-yloxy))-4,5-dihydroxy-6-(hydroxymethyl)(2H-3,4,5,6-tetra hydropyran-2-yloxy)]-5-hydroxy-2-(4-hydrox; MLS000574877; 30174-44-8; NCI60_041691; Naringenine-7-rhamnosidoglucoside; NSC618903; Naringenin 7-O-alpha-L-rhamnosyl-(1->2)-beta-D-glucoside; DTXSID6022478; STOCK1N-40898; ACon1_000139; (S)-7-((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-2H-pyran-2-yloxy)-tetrahydro-2H-pyran-2-yloxy)-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one; N2371; AIDS003056; naringin; Prestwick2_000467; MolPort-001-742-592; (2S)-Naringin; 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-chromone; 5,6,7,8,3',4'-Hexamethoxyflavone; Flavone, 5,6,7,8,3',4'-hexamethoxy; DFPMSGMNTNDNHN-ZPHOTFPESA-N; (2S)-7-[(2S,4S,5S,3R,6R)-3-((2S,6S,3R,4R,5R)-3,4,5-trihydroxy-6-methyl(2H-3,4, 5,6-tetrahydropyran-2-yloxy))-4,5-dihydroxy-6-(hydroxymethyl)(2H-3,4,5,6-tetra hydropyran-2-yloxy)]-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one; Spectrum2_001697; 17784-35-9; KBio3_001922; SPBio_002513; 4H-1-Benzopyran-4-one, 7-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (2S)-; Nobiletin; Spectrum3_000921; ACon1_000921; SMR000059108; 7-[[2-O-(6-Deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranosyl]oxy]-5-hydroxy-2(S)-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; IDI1_000247; Prestwick0_000467; BIDD:ER0262; NSC 76751; (S)-7-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-2-(4-hydroxyphenyl); s2329; naringenin 7-O-(alpha-L-rhamnosyl-(1,2)-beta-D-glucoside); NCGC00142617-01; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy- (9CI); MFCD00148888; BG00878320; ZINC8143604; Naringin (Naringoside); Naringoside, Naringenine-7-rhamnosidoglucoside, 10236-47-2; Prestwick3_000467; 10236-69-8; BRD-K02953697-002-03-3; cid_25075; SR-01000736681; NINDS_000247; 2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one; SR-01000736681-4; MLS000877030; MLS000759462; SPECTRUM1505268; 478-01-3; ST072162; 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-chromen-4-one; AS-12929; 11032-31-8; C10112; CHEMBL451532; (2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside; (S)-7-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one; (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one; Naringin hydrate; 236N472; 4H-1-Benzopyran-4-one, 7-((2-O-(6-deoxy-alpha-L-mannapyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl), (S)-; KBioGR_001519; 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one; DivK1c_000247; Naringenin 7-O-neohesperidoside; CC-32461; 4'5-diOH-Flavone-7-rhgluc; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-; SCHEMBL23432; (2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-betaD-glucopyranoside; MLS000069459; HMS500M09; Naringenin-7-beta-neohesperidoside; (2S)-7-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one; Prestwick1_000467; AKOS016034302; AI3-19008; NCGC00095703-01; Naringoside; aurantiin; C09789; Hexamethoxyflavone; SMR000156231; 109010-50-6; KBio1_000247; AC1L9CSZ; yphenyl)chroman-4-one; ZINC01531669; Naringenin 7-O-[alpha-L-rhamnosyl-(1->2)-beta-D-glucoside]; MEGxp0_001877; C27H32O14; NSC76751; SPBio_001654; SR-01000736681-5; C-23277; BPBio1_000632;5,6,7,8,3',4'-hexamethoxyflavone | C21H22O8 | 402.4 g/mol | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC |
| TCMBANKIN061496 | calycosin | HSDB 8109; 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one; CHEBI:17793; 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one; 09N3E8P7TA; calycosin (OLD); 20575-57-9; HY-N0519; ZINC6018563; 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-1-benzopyran-4-one; 3'-hydroxy-formononetin; calycosin ; LMPK12050056; MEGxp0_001325; BRD-K05039497-001-01-6; 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one; 3',7-dihydroxy-4'-methoxy-isoflavone; AKOS015896719; UNII-09N3E8P7TA; 4H-1-Benzopyran-4-one, 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-; 3', 7-dihydroxy-4'-methoxyisoflavone; 575C579; C01562; HMS2268B05; C-17889; MolPort-001-741-659; Calycosin; X1103; SCHEMBL73013; Q-100254; AC1NQX1G; 7-hydroxy-3-(3-hydroxy-4-methoxy-phenyl)chromen-4-one; 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4-chromenone; 7-hydroxy-3-(3-hydroxy-4-methoxy-phenyl)chromone; CHEMBL241608; CS-3715; ZZAJQOPSWWVMBI-UHFFFAOYSA-N; BG01576591; MLS000876988; DTXSID70174580; 3',7-dihydroxy-4'-methoxyisoflavone; ACon1_000650; I07-0176; NP-004576; NCGC00169494-01; 3-(4-methoxy-3-oxidanyl-phenyl)-7-oxidanyl-chromen-4-one; MCULE-7559555984; 7,3'-dihydroxy-4'-methoxyisoflavone; A814711; N1412; 3'-hydroxyformononetin; FT-0630465; MFCD00210598; SMR000440659; AN-8397; AC-8043; 3',7-dihydroxy-4'-methoxy-isoflavone | C16H12O5 | 284.26 g/mol | COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O |
| TCMBANKIN061508 | methyleugenol | 29T9VA6R7M; 1,4-Eugenol methyl ether; DSSTox_RID_77851; FEMA No. 2475; MLS001333206; ST24043178; ST50330558; Benzene,2-dimethoxy-4-(2-propenyl)-; FR-0577; NCGC00254085-01; CTK3J0502; HMS2269M09; HSDB 4504; 3,4-Dimethoxyallyl benzene; NSC-8900; Tox21_202347; ENT 21040; SBB007916; NCGC00091474-04; C10454; o-Methyl eugenol ether; NSC209528; ACMC-209rk6; MolPort-000-154-691; Eugenyl methyl ether; AS-14807; Tox21_300071; STK801819; Benzene, 4-allyl-1,2-dimethoxy-; CAS-93-15-2; NSC 209528; AK162493; FEMA Number 2475; Methyl eugenol, analytical standard; NSC8900; TRA0076734; Methyleugenol; LS-29885; AC1L1O2J; BRN 1911284; MLS001065600; 2-Methoxy-4-propenylphenol methyl ether; 3-06-00-04995 (Beilstein Handbook Reference); cis-Methyl isoeugenol; W247502_ALDRICH; RTR-029187; 1-(3, 4-Dimethoxyphenyl)-2-propene; DSSTox_CID_5607; 10005-561a; methyl eugenol; 3-(3,4-dimethoxyphenyl)-1-propene; O-Methyl eugenol; NSC-209528; CHEMBL108861; 4-Allylveratrol; SMR000112378; Methyl eugenol; W-100251; 1-(3,4-Dimethoxyphenyl)-2-propene; BG00601894; 1,2-dimethoxy-4-prop-2-enylbenzene; ZINC388674; 4-Allylveratrole; BB_NC-0711; 4-06-00-06337 (Beilstein Handbook Reference); CCRIS 746; Allyl-1,2-dimethoxybenzene; Allylveratrol; ZINC00388674; Methy l eugenyl ether; Dimethoxy-4-(2-propenyl)benzene; DSSTox_GSID_25607; EC 202-223-0; 1, 2-Dimethoxy-4-(2-propenyl)benzene; Methyl eugenol ether; M664; Benzene, 1,2-dimethoxy-4-propenyl-, (Z)-; BDBM50379791; 46110_FLUKA; Caswell No. 579AB; 1,2-Dimethoxy-4-allyl benzene; AIDS-224738; FT-0626371; METHYLEUGENOL; 1,3,4-Eugenol methyl ether; DTXSID5025607; AIDS224738; Eugenol methyl ether; Methyleugenol (4-Allyl-1,2-dimethoxybenzene); WLN: 1U2R CO1 DO1; Benzene, 1,2-dimethoxy-4-(2-propenyl)-; C11H14O2; NCGC00259896-01; 6380-24-1; KS-000001JX; 93-15-2; MFCD00008652; BBL027720; 284424_ALDRICH; ZYEMGPIYFIJGTP-UHFFFAOYSA-N; 1,2-dimethoxy-4-(prop-2-en-1-yl)benzene; Benzene, 4-(2-propenyl)-1,2-dimethoxy; BRN 1910871; TR-029187; Methyl Eugenol Natural; DB-002806; 1,2-dimethoxy-4-prop-2-enyl-benzene; 4-Allyl-1,2-dimethoxybenzene; EINECS 202-223-0; KB-177539; 1,2-Dimethoxy-4-allylbenzene; SCHEMBL10108224; AN-24255; LS-15; Veratrole methyl ether; AC1Q46TK; NCGC00091474-01; AC1Q4FDV; BBV-39688198; 1,2-Dimethoxy-4-(2-propen-1-yl)benzene; NCGC00091474-02; 4-Allyl-1,2-dimethoxybenzene, 99%; 3,4-Dimethoxyallylbenzene; MLS001333205; BB_NC-00711; ANW-39988; 1,2-Dimethoxy-4-(2-propenyl)benzene; methyl eugenol ; 4-Allyl-1,2-dimethyoxybenzene; EPA Pesticide Chemical Code 203900; AKOS015838877; FEMA 2475; cis-4-Propenyl veratrole; Methyl eugenol, >=98%, FCC; CHEBI:4918; 4-allyl-1,2-dimethoxy-benzene; AX8129901; Eugenol methyl; UNII-29T9VA6R7M; Benzene, 1,2-dimethoxy-4-(2-propen-1-yl)-; Eugenol methylether; SCHEMBL113794; NCGC00091474-03; AI3-21040; 1-Allyl-3,4-dimethoxybenzene; 4-Allyl-1, 2-dimethoxybenzene; Methyl eugenyl ether; O-Methyleugenol;eugenyl methylether;Benzene, 1,2-dimethoxy-4-(2-propenyl)-;eugenol methyl ether;1,2-dimethoxy-4-(2-propenyl)benzene;Methyleugenol-;SCHEMBL219169;1,2-Dimethoxy-4-(2-propenyl)benzene | C11H14O2 | 178.23g/mol | COC1=C(C=C(C=C1)CC=C)OC |
| 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 |
| TCMBANKIN061596 | chrysoeriol;5,7,4′-trihydroxy-3′-methoxyflavone;3'-methoxy-4',5,7-trihydroxyflavone | 35.850895 | C16H12O6 | 300.26 g/mol | COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
| TCMBANKIN061733 | Gentiacaulein | gentiacauleine;NSC661743; BDBM174835; 2,8-Dihydroxy-1,6-dimethoxyxanthone; AIDS142918; NP-008544; 2,8-dihydroxy-1,6-dimethoxy-xanthen-9-one; 1,7-dihydroxy-3,8-dimethoxyxanthone; CHEBI:5313; 2,8-Dihydroxy-1,6-dimethoxy-9H-xanthen-9-one; DTXSID10415161; 2,8-dihydroxy-1,6-dimethoxyxanthen-9-one; CHEMBL467590; 2,8-dihydroxy-1,6-dimethoxy-9-xanthenone; 15402-27-4; 2,8-dihydroxy-1,6-dimethoxy-xanthone; NSC-661743; 2,8-dihydroxy-1,6-dimethoxyxanthone; gentiacaulein; US9114126, 2027BA1; MLS000563494; 2,6-dimethoxyxanthone; HMS3338N03; AIDS-142918; AC1NQYS1; HMS2227I16; SMR000232301; C10064; Getiacaulein | C15H12O6 | 288.25 | COC1=CC(=C2C(=C1)OC3=C(C2=O)C(=C(C=C3)O)OC)O |
| TCMBANKIN061762 | syringaresinol | (+)-Suyringaresinol-di-O-beta-D-glucoside_qt; (+)syringaresinol; (+)-Suyringaresinol-di-O-beta-D-glucoside; liriodendrin_qt; dl-Syringaresinol; syringaresinol diglucoside_qt; dl-sy-ringaresinol; (+)-syringaresinol-O-β-D-glucopyranoside; (+ )-syringaresinol; 4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3,5-dimethoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxy-phenol; 21453-69-0; C10889; (7alpha,7'alpha,8alpha,8'alpha)-3,3',5,5'-tetramethoxy-7,9':7',9-diepoxylignane-4,4'-diol; CHEBI:47; 4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxyphenol; (+)-syringaresinol; (+ )- syringaresinol; dl-syringaresinol; (-)-syringaresinol; episyringaresinol; (+)-syringarosinol; (+ )-Syringaresinol-O-β-D-glucopyranoside; syringaresino; (-)-syringaresinol; (?)-syringaresinol; (+)-Syringaresinol; lirioresinol-A | C34H46O18 | 742.72 | COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)O)OC |
| TCMBANKIN061841 | Calycosin-7-0-β-D-glucopyranoside | 4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3-(4-methoxyphenyl)-; MEGxp0_000395; 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; LMPK12050014; 486-62-4; 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; Formononetin glucoside; STOCK1N-14986; 75375_FLUKA; 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside; ACon1_000463; ZINC01081322; 3-(4-methoxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; CHEBI:7775; 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; Ononin; C10509; Formononetin 7-O-glucoside; Formononetin-7-O-beta-D-glucopyranoside; Formononetin-7-glucoside; ononin | C22H22O9 | 430.4 | COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)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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