Plant Summary
Plant Information
TCMBank_ID: | TCMBANKHE003986 |
ID: | TCMBANKHE003986 |
功能与主治: | Common cold, summerheat stroke with fever, jaundice, acute gastroenteritis, bacillary dysentery, sore and boil. |
药用植物名: | 苦丁茶 |
药用部位: | tender leaf |
治疗类型: | 清热泻火药 |
TCM_ID_id: | 7317 |
SymMap_id: | 227 |
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 |
|---|
| TCMBANKIN001327 | osmanthuside B6_qt | C29H36O13 | 592.59 | ||
| TCMBANKIN001370 | (1S,2R,4aS,6aS,6aR,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-1,2,6a,6b,12a-pentamethyl-9-methylene-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid | (1S,2R,4aS,6aS,6aR,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-1,2,6a,6b,12a-pentamethyl-9-methylidene-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid | 456.73 | ||
| TCMBANKIN002198 | (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,11R,12R,12aS,14aR,14bR)-12-hydroxy-4,4,6a,6b,11,12,14b-heptamethyl-8a-[oxo-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]methyl]-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropic | (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,11R,12R,12aS,14aR,14bR)-12-hydroxy-4,4,6a,6b,11,12,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicen-3-y; (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,11R,12R,12aS,14aR,14bR)-12-hydroxy-4,4,6a,6b,11,12,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicen-3-yl]oxy]; (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,11R,12R,12aS,14aR,14bR)-12-hydroxy-4,4,6a,6b,11,12,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4, | 811.08 | ||
| 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 |
| TCMBANKIN002997 | ligupurpuroside B_qt | 446.49 | |||
| TCMBANKIN003184 | ilexsideii_qt | zigu一glucoside II_qt | C35H56O8 | 604.81 | |
| TCMBANKIN003584 | rubixanthin | E161d; CHEBI:8907; LMPR01070281; SCHEMBL43266; 0PWJ89032Q; (all-E,3R)-rubixanthin; C08611; Rubixanthin; g-Caroten-3-ol; 3-Hydroxy-g-carotene; CI 75135; (3R)-beta-4-Caroten-3-ol; (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24; (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol; 3763-55-1; E 161d; (3R)-beta,psi-caroten-3-ol; beta-4-Caroten-3-ol, (3R)-; UNII-0PWJ89032Q; ZINC8221265; AC1NQYA3; b,y-Caroten-3-ol; Natural yellow 27 | C40H56O | 552.87 | CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C |
| TCMBANKIN003838 | ilekudinoside E_qt | 634.94 | |||
| TCMBANKIN005437 | [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-1-h | [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-hydroxy-1,2,6a,6b,9,9,12a-heptameth; (1R,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetrade; [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-1-hydroxy-1,2,6a,6b,9,9,12a-heptamet; (1R,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[[(2S,3R,4S,5S)-3,5-dihydroxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14 | 929.23 | ||
| TCMBANKIN007911 | Ligurobustoside N_qt | 462.49 | |||
| TCMBANKIN008355 | Isochlorogenic acid B | (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid; Cyclohexanecarboxylic acid, 3,4-bis((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,5-dihydroxy-, (1S,3R,4R,5R)-; (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy]-1,5-dihydroxy-cyclohexane-1-carboxylic acid; 14534-61-3; (1S,3R,4R,5R)-3,4-bis[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,5-dihydroxy-1-cyclohexanecarboxylic acid; C10468; ACon1_002212; isochlorogenic acid b; (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxy-cyclohexane-1-carboxylic acid; Isochlorogenic acid b | C25H24O12 | 516.45 | C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O |
| TCMBANKIN008822 | ilekudinoside G_qt | 470.76 | |||
| TCMBANKIN009020 | [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-11-hydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-2,3,4,5,6,6a,7,8, | [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-11-hydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tet; (1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-11-hydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-10-[[(2S,3R,4S,5S)-3,4,5-trihydroxy-2-tetrahydropyranyl]oxy]-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid [(2S,3R,4; (1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-11-hydroxy-1,2,6a,6b,9,12a-hexamethyl-9-methylol-10-[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid [(2S,3R,4S,5S,6R)- | 783.07 | ||
| TCMBANKIN009155 | Kudinoside G_qt | 590.88 | |||
| TCMBANKIN009797 | latifoloside C_qt | latifoloside B_qt | 618.94 | ||
| TCMBANKIN011278 | latifoloside D_qt | C47H76O17 | 913.1 | ||
| TCMBANKIN011697 | theobromine | KBio1_000611; Thesodate; DivK1c_000611; Theostene; NCGC00016023-02; Thesal; 2,6-Dihydroxy-3,7-dimethylpurine; CAS-83-67-0; NCGC00024123-04; 3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione; MLS000028407; NCGC00016023-01; T4500_SIGMA; Spectrum2_000985; Spectrum3_000279; Theosalvose; 37T; SMR000058357; Theobromine [BAN]; Xanthine, 3,7-dimethyl-; Theobromine (natural); SPBio_002868; BRN 0016464; 83-67-0; KBio2_000433; AIDS022717; Theobromine; 3,7-dimethylpurine-2,6-dione; 1H-purine-2,6-dione,3,7-dihydro-3,7- dimethyl- (9CI); EU-0101187; 3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione; 3,7-Dimethylxanthine; ZINC00002151; NSC5039; Spectrum_000053; NSC 5039; 5-26-13-00553 (Beilstein Handbook Reference); BPBio1_001043; Lopac-T-4500; SDCCGMLS-0002875.P003; Prestwick1_000874; Spectrum5_001387; Prestwick0_000874; Prestwick3_000874; KBio2_003001; KBioSS_000433; KBio3_001258; NCGC00024123-05; IDI1_000611; BSPBio_000947; 5-26-13-00553 (Beilstein); WLN: T56 BN DN FNVMVJ B1 F1; KBio2_005569; SPBio_001049; KBioGR_000666; Theobromin; Lopac0_001187; PDSP2_001001; Santheose; BSPBio_001758; AIDS-022717; SBB012378; SC 15090; FEMA No. 3591; CCRIS 2350; EINECS 201-494-2; Prestwick2_000874; PDSP1_001017; CHEBI:28946; Spectrum4_000403; Prestwick_1054; Teobromin; NINDS_000611; Diurobromine; LS-1828; 2,6-Dihydroxy-3,7-dimethyl-purine; 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-; C07480; c1095; NCGC00024123-08; SPECTRUM1500649 | C7H8N4O2 | 180.16 | CN1C=NC2=C1C(=O)NC(=O)N2C |
| TCMBANKIN012498 | cyanin | LMPK12010113; Cyanidin 3,5-diglucoside; cyanine; Cyanin | C27H31O16+ | 611.5 g/mol | C1=CC(=C(C=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O |
| TCMBANKIN014975 | Kudinoside F_qt | 472.83 | |||
| TCMBANKIN015085 | rugosin D | 84754-11-0; beta-D-Glucopyranose, cyclic 4-2':6-2-((1S)-4-(6-(((4,6-O-(((1S)-4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-diyl)dicarbonyl)-2,3-bis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyl)oxy)carbonyl)-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 1,2,3-tris(3,4,5-trihydroxybenzoate), stereoisomer; [hexahydroxy-dioxo-bis[(3,4,5-trihydroxybenzoyl)oxy][?]yl] 3,4,5-trihydroxy-2-[pentahydroxy-dioxo-tris[(3,4,5-trihydroxybenzoyl)oxy][?]yl]oxy-benzoate; rugosin d | C82H58O52 | 1875.31 | C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3OC4=C(C(=C5C(=C4)C(=O)OCC6C(C(C(C(O6)OC(=O)C7=CC(=C(C(=C7)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O)OC(=O)C9=CC(=C(C(=C9)O)O)O)OC(=O)C2=CC(=C(C(=C25)O)O)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O1)O)O)O)O)O)O |
| TCMBANKIN015107 | p-1-menthene | C10H18 | 138.25 g/mol | CC1=CCC(CC1)C(C)C | |
| TCMBANKIN015165 | sanguiinh5 | ||||
| TCMBANKIN015946 | ulmoidol | C29H42O5 | 470.6 g/mol | CC1CCC23CCC4(C5(CCC6C(=C)C(C(CC6(C5C7C(C4(C2C1C)OC3=O)O7)C)O)O)C)C | |
| TCMBANKIN016091 | zigu一glucoside I_qt | C41H66O13 | 766.95 | ||
| TCMBANKIN017842 | norbellidifodin | C1=CC(=C2C(=C1O)C(=O)C3=C(C=C(C=C3O2)O)O)O | |||
| TCMBANKIN018148 | 4'-hydroxy-cis-cinnamicacid octacosyl ester | C37H64O3 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=CC1=CC=C(C=C1)O | ||
| TCMBANKIN019629 | Ilekudinoside F_qt | 470.76 | |||
| TCMBANKIN019908 | Kudinoside C_qt | Kudinoside B_qt; Kudinoside A_qt | 486.76 | ||
| TCMBANKIN019942 | vitamin e | vitamin-e; LS-187838; alpha-tocopherol; tocopherol; β-Tocopherol; α-tocopher | C29H50O2 | 430.7 g/mol | CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C |
| TCMBANKIN020227 | isoamylamine | I0082; isopentyl amine; Monoisopentylamine; 107-85-7; .gamma.-Isoamylamine; 3-methylbutyl amine; Propylamine, 3,3-dimethyl-; LPO0L33SHY; ACMC-1C2LR; UNII-LPO0L33SHY; FEMA No. 3219; iso-pentylamine; (3-methylbutyl)amine; Butylamine, 3-methyl-; DTXSID7059355; GTPL5506; ISOAMYLAMINE, REAG; DB-040790; ZINC4658584; isoamylamin; InChI=1/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H; BDBM50024589; 3-Methyl-1-butanamine; AC1L1PSO; 541-23-1 (hydrochloride); Isopentylamine; (3-methyl-but-1-yl)-amine; KS-00000UUZ; BMFVGAAISNGQNM-UHFFFAOYSA-N; 3-Methylbutylamine; 7347AF; AC1Q1PDF; 3-METHYLBUTAN-1-AMINE; 3,3-Dimethylpropylamine; 3,3-dimethyl-propylamine; AI3-24040; 1-Amino-3-methylbutane; Isovalerylamine; Isopentylamine, 99%; NSC7907; 3-Methyl-1-butylamine; MCULE-3081003576; ANW-15857; 2-(2-isopropyl)ethylamine; ISOAMYLAMINE; 3-Methyl-1-butanamine, 9CI; amino 3-methylbutane; C02640; J-002023; CHEMBL42003; CHEBI:43689; TRA0089077; AKOS000119764; D0XO7J; 3-Methyl-Butan-1-Amine; FT-0616144; iso-amyl amine; Monoisoamylamine; MFCD00008203; EC 203-526-0; AC1Q5499; EINECS 203-526-0; 1-Aminoisopentane; TR-001873; 1-Butanamine, 3-methyl-; 3-Methylbutanamine; FEMA 3219; I14-17836; Isopentylamine, >=98%; F2190-0364; Leucamine; Isopentylamine, purum, >=98.0% (GC); 3-Methyl-1-butanamine #; MolPort-001-791-387; 3-methyl butylamine; NSC-7907; NSC 7907; 3-Methyl-Butylamine; RTR-001873; CTK0H8363; isoamyl amine; laquo gammaRaquo -isoamylamine; LTBB005417; Isopentylamine, analytical standard; LEN; 11149-EP2316828A1; 3-methyl-butyl-amine; Isobutylcarbylamine; gamma-Isoamylamine | C5H13N | 87.16 g/mol | CC(C)C(C)N |
| TCMBANKIN020934 | [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate | [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate; (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl] ester; (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] ester | 618.94 | ||
| TCMBANKIN021297 | PHYTANTRIOL | phytantriol | C20H42O3 | 330.55 | CC(C)CCCC(C)CCCC(C)CCCC(C)(C(CO)O)O |
| TCMBANKIN024370 | hamanasicacid a | C15H24O3 | 252.35 g/mol | CC(=CCCC(C)(C1CCC(=CC1)C(=O)O)O)C | |
| TCMBANKIN025611 | Ilekudinoside H_qt | 486.76 | |||
| TCMBANKIN026389 | 4'-hydroxy-cis-cinnamicacidhexacosyl ester | C35H60O3 | |||
| TCMBANKIN026878 | [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-1-hydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10 | (1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-1-hydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-10-[[(2S,3R,4S,5S)-3,4,5-trihydroxy-2-tetrahydropyranyl]oxy]-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid [(2S,3R,4S,5S,6R)-; [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-1-hydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradec; (1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-1-hydroxy-1,2,6a,6b,9,12a-hexamethyl-9-methylol-10-[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid [(2S,3R,4S,5S,6R)-3,4,5-tri | 783.07 | ||
| TCMBANKIN027743 | linalyl formate | linalylformate | C11H18O2 | 182.26 | CC(=CCCC(C)(C=C)OC=O)C |
| TCMBANKIN027771 | [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate | (1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]; (1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-1,10-dihydroxy-1,2,6a,6b,9,12a-hexamethyl-9-methylol-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] ester; [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate | C36H58O10 | 650.84 | |
| TCMBANKIN028701 | rugosicacid d | C15H22O5 | 282.33 g/mol | CC(C)C1CCC2(CC3C(=CC(C2(O1)O3)O)C(=O)O)C | |
| TCMBANKIN029060 | ruine | 32472-23-4; Ruine | C19H22N2O7 | 390.4 g/mol | CC1=NC=CC2=C1NC3=C2C=CC(=C3OC4C(C(C(C(O4)CO)O)O)O)OC |
| TCMBANKIN029898 | (1R,2S,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid | 472.78 | |||
| TCMBANKIN030763 | Acteoside_qt | liguPurpuroside A_qt | C29H36O15 | 624.59 | |
| TCMBANKIN030894 | 8-geranyloxy psoralen | 9-[(3,7-Dimethyl-2,6-octadienyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one; MolPort-004-956-052; AKOS016009380; 9-[(2E)-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one; KB-250505; 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((3,7-dimethyl-2,6-octadienyl)oxy)-; 9-((2E)-3,7-dimethylocta-2,6-dienyloxy)furano[3,2-g]chromen-2-one; AC1NSVSU; 8-Geranoxypsoralen; Xanthotoxol geranyl ether; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]-; 9-((3,7-Dimethylocta-2,6-dien-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one; AK112332; 9-Geranyloxypsoralen; SMR001397031; W1271; 7437-55-0; BDBM50361381; NCGC00142593-02; MLS002472920; (E)-9-((3,7-Dimethyl-2,6-octadienyl)oxy)-7H-furo(3,2-g)(1)benzopyran-7-one; 8-geranoxy-psoralen; 8-Geranyloxy psoralen; AX8156636; ST069304; 8-Geranyloxypsoralen, analytical standard; 8-geranyloxypsoralen; 9-{[(2E)-3,7-DIMETHYLOCTA-2,6-DIEN-1-YL]OXY}FURO[3,2-G]CHROMEN-7-ONE; CHEMBL1412710; NCGC00142593-01; 9-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-2H-furo[3,2-g]chromen-2-one; ZINC2529828; 71612-25-4; SOVNCTNQAWWYAQ-OQLLNIDSSA-N; AJ-38441; ST24045829; 9-((3,7-Dimethylocta-2,6-dien-1-yl)-oxy)-7H-furo[3,2-g]chromen-7-one; SCHEMBL4538668; 8-geranyloxypsoralen, AldrichCPR; HMS2268O12; 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((3,7-dimethyl-2,6-octadienyl)oxy)-, (E)- | C21H22O4 | 338.4 g/mol | CC(=CCCC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C)C |
| TCMBANKIN032140 | amyrin Palmitate | beta-Amyrin palmitate; β-amyrin palmitate | C30H50O | 426.72 | CCCCCCCCCCCCCCCC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C)C)C)C |
| TCMBANKIN033482 | Quinicine | quinicine | C20H24N2O2 | 324.4 g/mol | COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O |
| TCMBANKIN033678 | caffeine | NCGC00015208-02; DHCplus; KBio2_001781; W222402_ALDRICH; NINDS_000730; EINECS 200-362-1; Spectrum5_000423; BSPBio_001921; KBio1_000730; ACon1_000085; Probes1_000150; Quick-Pep; D00528; AIDS001649; WLN: T56 BN DN FNVNVJ B1 F1 H1; 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione; SK 65 Compound; NCGC00090699-07; KBio2_006917; Stim; Caffeina [Italian]; 1,3,7-trimethylpurine-2,6-dione; PDSP2_001219; C7731_SIAL; KBioSS_001781; Caffein; Miudol; Nix Nap; nchembio774-comp2; Nodaca; Caffeine (natural); Cafeina; CFF; Caffeine solution; 7-methyltheophylline; 3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion (coffein); Bio1_000962; TNP00310; 75035_FLUKA; 1,3,7-Trimethyl-2,6-dioxopurine; NCGC00090699-08; Caffeine, anhydrous; Koffein [German]; C1778_SIAL; Dexitac; 3,7-dihydro-1,3,7-trimethyl-1H-purine; 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione; Durvitan; PDSP2_001000; MLS001066409; Eldiatric C; SPECTRUM1500155; cafeine; Koffein; NCIOpen2_008255; BRN 0017705; 71701-02-5; C8960_SIAL; Bio1_001451; MLS001056714; Caffeine (USP); caffenium; SPBio_001222; 27602_FLUKA; 95789-13-2; Spectrum3_000321; Cafecon; Thein; NCGC00015208-01; Coffeinum; 1-methyltheobromine; Mettler Toledo Calibration substance ME 18872, Caffeine; Kofein [Czech]; NSC 5036; Spectrum_001301; NCGC00090699-04; Bayer Select Headache Pain; Theine; Guaranine; KBio3_001141; NSC5036; 1,3,7-trimethyl-2,6-dioxo-1,2,3,6-tetrahydropurine; Spectrum2_001261; EU-0100228; Probes2_000128; MEGxp0_001350; Anhydrous caffeine (TN); 1,3,7-Trimethylxanthine; 58-08-2; Caffedrine; C07481; No-Doz; PDSP1_001016; 3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion; InChI=1/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H; Phensal; Refresh'n; KBio2_004349; AIDS-001649; Tri-Aqua; Lopac0_000228; ZINC00001084; teina; Methyltheobromine; IDI1_000730; Caffeine, synthetic; 5-26-13-00558 (Beilstein); LS-187843; Theophylline Me; 5-26-13-00558 (Beilstein Handbook Reference); Coffein [German]; C6035_SIGMA; HSDB 36; DivK1c_000730; SDCCGMLS-0064595.P001; KBioGR_002325; NCI-C02733; SBB006474; Spectrum4_001782; Coffeine; Anhydrous caffeine; SMR000326667; 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-; Theobromine, 1-methyl-; Theophylline, 7-methyl; MolMap_000054; NCGC00090699-01; Theobromine Me; LS-237; Cafamil; Cafipel; c1094; AI3-20154; SDCCGMLS-0064595.P002; Xanthine, 1,3,7-trimethyl; Bio1_000473; Mateina; Methylxanthine theophylline; FEMA No. 2224; CHEBI:27732; Tirend; component of P-A-C Compound; Caffeine; Organex; NCGC00090699-03; component of Cafergot; CCRIS 1314; Methyltheobromide; Lopac-C-0750; 3,7-dihydro-1,3,7-trimethyl-1H-purine (9CI); Alert-Pep; C0750_SIAL; PDSP1_001235; Anhydrous caffeine (JP15); Vivarin; Caffeine [BAN:JAN]; Coffein; Caffine | C8H10N4O2 | 194.19 | CN1C=NC2=C1C(=O)N(C(=O)N2C)C |
| TCMBANKIN033843 | rubricauloside | 8-[3-[(2S,3S,6S)-6-[[(2R,3R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,4-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one; AC1O3DX7 | C27H38O15 | 602.58 | CC(C)(C(CC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)O)OC3C(C(C(C(O3)COC4C(C(CO4)(CO)O)O)O)O)O |
| TCMBANKIN034606 | ilekudinoside J_qt | Ilekudinoside I_qt | 486.76 | ||
| TCMBANKIN034737 | Ligurobustoside N | ligurobustoside n | C35H46O18 | 754.7 g/mol | CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(C(OC(C3OC(=O)C=CC4=CC(=C(C=C4)O)O)CO)OCCC5=CC=C(C=C5)O)O)C)O)O)O |
| TCMBANKIN034994 | rugosicacid c | C15H24O5 | 284.35 g/mol | CC(C)C1CCC2(C1(C(C=C(C(C2)O)C(=O)O)O)O)C | |
| TCMBANKIN035653 | [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate | [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxy; (1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,12a-hexamethyl-9-methylol-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] este; (1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydro | 650.94 | ||
| TCMBANKIN036417 | rugosicacid b | C15H22O5 | 282.33 g/mol | CC(C)C1CCC2(C13C(C=C(C(C2)(O3)O)C(=O)O)O)C | |
| TCMBANKIN036658 | zigu一glucoside II | C35H56O8 | 604.81 | ||
| TCMBANKIN036717 | Kudinoside J_qt | Kudinoside D_qt; Kudinoside E_qt | 454.81 | ||
| TCMBANKIN036764 | rugosicacid a | C15H22O5 | 282.33 g/mol | CC(C)C1CCC2(C13C(C=C(C(C2)OO3)C(=O)O)O)C | |
| TCMBANKIN036800 | erythrodiol | AKOS032948355; (3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol; Olean-12-ene-3beta,28-diol; erythro-diol; (3beta)-Olean-12-ene-3,28-diol; erythrodiol ; (4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol; A830234; 545-48-2; EINECS 208-890-4; Erythrodiol; (3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-methylol-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol; 09258_FLUKA | C30H50O2 | 443 | C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])=C([C@@]([H])(C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]2(C([H])([H])O[H])C([H])([H])C3([H])[H])[C@ @]34C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C5([H])[H])[C@@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@]1([H])O[H] |
| 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-] |
| TCMBANKIN036845 | isoquercitrin | BDBM84979; FT-0627504; ISOQUERCITRIN | C21H20O12 | 464.376 | C1(c2c([H])c([H])c(O[H])c(O[H])c2[H])=C(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C(=O)c4c(c([H])c(O[H])c([H])c4O[H])O1 |
| TCMBANKIN037277 | Oleanolic acid | Olean-12-en-28-oic acid, 3.beta.-hydroxy-; s2334; Caryophyllin; AIDS014809; Giganteumgenin C; SMR000445561; oleanolicacid; (3-beta)-3-Hydroxyolean-12-en-28-oic acid; AIDS-014809; Olean-12-en-28-oic acid, 3-hydroxy-, (3-beta)-; EINECS 208-081-6; NSC 114945; OLEANOLIC ACID; Olean-12-en-28-oic acid, 3-hydroxy-, (3beta)-; CCRIS 6493; AS-11663; SCHEMBL1699365; Virgaureagenin B; CHEBI:37659; MLS000697656; (4aS,5S,6aS,6bR,8R,8aR,10S,12aR,12bR,14bS)-10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid; AKOS022168208; O5504_SIGMA; MolPort-016-633-333; Oleanolic Acid; Olean-12-en-28-oic acid, 3-beta-hydroxy- (8CI); Oleanic acid; 3beta-Hydroxyolean-12-en-28-oic acid; 3-beta-Hydroxyolean-12-en-28-oic acid; ST057162; Olean-12-en-28-oic acid, 3beta-hydroxy- (8CI); NSC114945; Oleanolic Acid (Caryophyllin); Astrantiagenin C; Olean-12-en-28-oic acid, 3-hydroxy-, (3.beta.)-; 508-02-1; (4R,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3,4,4a,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4-carboxylic acid; (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid; oleanolic acid | C30H48O3 | 457 | C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])=C([C@@]([H])(C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]2(C(=O)O[H])C([H])([H])C3([H])[H])[C@@]34C( [H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C5([H])[H])[C@@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H] |
| TCMBANKIN037462 | Ilekudinoside I | ilekudinoside i | C41H64O14 | 780.9 g/mol | CC1(C2CCC3(C(C2(CCC1OC4C(C(C(CO4)O)O)OC5C(C(C(C(O5)CO)O)O)O)C)CC(C6=C7C(C8(CCC7(CCC63C)C(=O)O8)C)(C)O)O)C)C |
| TCMBANKIN037550 | Latifoloside D | latifoloside d | 913.1 | ||
| TCMBANKIN037872 | rugosin C | rugosin c | C48H32O31 | 1104.75 | C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC5=C(C6=C(C(=C(C=C6C(=O)O3)O)O)O)C(=C(C(=C5)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)OC9=C(C(=C(C=C9C(=O)O)O)O)O)O)O)O)O)O |
| TCMBANKIN038034 | Bisaborosaol A | AC1L50NJ; methyl(4r)-4-[(2s)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohex-1-ene-1-carboxylate; methyl (4R)-4-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohexene-1-carboxylate; CTK4C0082; 135970-39-7; methyl (4R)-4-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohex-1-ene-1-carboxylate; Bisaborosaol A | 266.38 g/mol | ||
| TCMBANKIN038149 | Bisaborosaol C2 | ||||
| TCMBANKIN038323 | quinic acid | Cyclohexanecarboxylicacid, 1,3,4,5-tetrahydroxy-, (1a,3R,4a,5R); SCHEMBL12464756; Kinate; SCHEMBL13577075; 1,3,4,5-Tetrahydroxycyclohexane-carboxylic acid; quinate; quinicacid; Quinic acid; (3R)-1,3,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid; Chinate; SCHEMBL14960616; (1R,3R,4S)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid; (3R)-1,3,4,5-tetrahydroxy-1-cyclohexanecarboxylic acid; SCHEMBL39555; A839299 | C7H12O6 | 192.167 | C1([H])(O[H])[C@@]([H])(O[H])C([H])([H])C(C(O[H])=O)(O[H])C([H])([H])[C@]1([H])O[H] |
| TCMBANKIN038707 | alpha-amyrin | α-Amyrin; C08615; Urs-12-en-3-ol; Urs-12-en-3-ol, (3beta)- (9CI); alpha-Amyrine; Urs-12-en-3.beta.-ol; ST5411384; (3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol; (3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-Octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-eicosahydro-picen-3-ol; (3.beta.)-Urs-12-en-3-ol; 3-epi-α-amyrin; A834570; Urs-12-en-3-ol #; FSLPMRQHCOLESF-UHFFFAOYSA-N; EINECS 211-352-1; MCULE-7089035597; 12-ursen-3beta-ol; .alpha.-Amyrine; α-amyrin; NSC-114787; alpha-Amyrin; AC1L5E7U; Urs-12-en-3beta-ol; alpha-Amyrenol; Viminalol; 638-95-9; AIDS-070313; Epi-alpha-amyrin; 53017_FLUKA; AIDS070313; AC1Q7B25; .alpha.-Amyrin; 4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol; NSC 114787; NSC114787; alpha-amyrin ; Urs-12-en-3-ol, (3.beta.)-; .alpha.-Amyrenol; LMPR01060011; α- amyrin; SMP2_000308 | C30H50O | 426.72 | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C |
| TCMBANKIN038993 | Rugosin A | 1-O,2-O,3-O-Trigalloyl-4-O,6-O-[(pS)-2,2',3,3',4-pentahydroxy-4'-[2,3,4-trihydroxy-6-carboxyphenoxy][1,1'-biphenyl]-6,6'-diylbiscarbonyl]-beta-D-glucopyranose; ACon1_002330; Rugosin A; rugosin a; 84744-48-9; NCGC00169948-01; beta-D-Glucopyranose, cyclic 4-2':6-2-(4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 1,2,3-tris(3,4,5-trihydroxybenzoate), (S)- | 1106.77 | ||
| TCMBANKIN039145 | ilekudinol C | ilekudinol c | C30H52O3 | 460.7 g/mol | CC(C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(CCC(C5(C)C)O)CO)C)CO |
| TCMBANKIN039223 | Rugosin B | Benzoic acid, 2-[[(11aR,14R,15R,15aS,17aR)-1,9,11,11a,13,14,15,15a,17,17a-decahydro-2,3,4,5,6,13-hexahydroxy-9,17-dioxo-14-[2-oxo-2-(3,4,5-trihydroxyphenyl)ethyl]-15-[(3,4,5-trihydroxybenzoyl)oxy]dibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecin-7-yl]oxy]-3,4,5-trihydroxy-; 2-[hexahydroxy-dioxo-[2-oxo-2-(3,4,5-trihydroxyphenyl)ethyl]-(3,4,5-trihydroxybenzoyl)oxy-[?]yl]oxy-3,4,5-trihydroxy-benzoic acid; rugosin b | 787 | ||
| TCMBANKIN039376 | Ilekudinoside H | ilekudinoside h | C53H84O23 | 1089.2 g/mol | CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)C)CCC5(C4C(CC6=C7C(C8(CCC7(CCC65C)C(=O)O8)C)(C)O)O)C)C)O)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(C(O1)CO)O)O)O)O)O)O |
| TCMBANKIN039870 | latifoloside C | latifoloside c | C53H86O22 | 1075.2 g/mol | CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)C)CCC5(C4CC=C6C5(CCC7(C6C(C(CC7)(C)C)O)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)O |
| TCMBANKIN040217 | Kudinoside B | kudinoside b | 943.1 g/mol | ||
| TCMBANKIN040447 | rugosin F | rugosin f | C82H56O52 | 1873.29 | C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3OC4=C(C(=C5C(=C4)C(=O)OCC6C(C7C(C(O6)OC(=O)C8=CC(=C(C(=C8)O)O)O)OC(=O)C9=CC(=C(C(=C9C2=C(C(=C(C=C2C(=O)O7)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C25)O)O)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O1)O)O)O)O)O)O |
| TCMBANKIN040858 | ilekudinoside J | ilekudinoside j | C42H66O15 | 811 g/mol | CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)C)CC(C6=C7C(C8(CCC7(CCC63C)C(=O)O8)C)(C)O)O)C)C |
| TCMBANKIN041246 | strictinin | strictinin | C27H22O18 | 634.453 | c1(O[H])c(O[H])c([H])c(C(=O)OC([H])([H])[C@@]([H])(O[C@@]([H])(OC(=O)c2c([H])c(O[H])c(O[H])c(O[H])c2[H])[C@]([H])(O[H])[C@@]3([H])O[H])[C@@]3([H])OC(=O)c(c([H])c(O[H])c(O[H])c4O[H])c45)c5c1O[H] |
| TCMBANKIN041270 | rosacorenol | ||||
| TCMBANKIN041724 | Osmanthuside B6 | osmanthuside b6 | 592.59 | ||
| TCMBANKIN041759 | Kudinoside C | kudinoside c | 1089.2 g/mol | ||
| TCMBANKIN041900 | Kudinoside D | kudinoside d | 909.1 g/mol | ||
| TCMBANKIN042251 | 11-hydroxy-12-hydroisodaucenal | C15H24O2 | 236.35 g/mol | CC12CCC(C1CCC(=CC2)C=O)C(C)(C)O | |
| TCMBANKIN042578 | Kudinoside A | kudinoside a | 927.1 g/mol | ||
| TCMBANKIN043856 | 23-hydroxyursolic acid | 23- hydroxyursolicacid; 23-hydroxy ursolicacid; 23-hydroxyursolicacid | C30H48O4 | 473 | C(O[H])(=O)[C@]1([C@@](C(=C([H])C([H])([H])[C@]([H])([C@](C([H])([H])[H])([C@@]2([H])[C@](C([H])([H])[H])(C([H])([H])O[H])[C@@]3([H])O[H])C([H])([H])C3([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C2([H]) [H])[C@]45C([H])([H])[H])([H])[C@@]([H])(C([H])([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])C5([H])[H] |
| TCMBANKIN043997 | isodaucenal | C15H22O | CC(=C)C1CCC2(C1CCC(=CC2)C=O)C | ||
| TCMBANKIN044006 | Kudinoside E | kudinoside e | 1071.2 g/mol | ||
| TCMBANKIN044076 | Bisaborosaol F | ||||
| TCMBANKIN044097 | Hydroxyisodaucenal | 234.33 g/mol | |||
| TCMBANKIN044331 | bisaborosaol c1 | C16H26O5 | |||
| TCMBANKIN044562 | l-beta-cyanolanine | 114.103 | |||
| TCMBANKIN044667 | Bisaborosaol D | 284.35 g/mol | |||
| TCMBANKIN044904 | Ligupurpuroside A | ligupurpuroside a | 770.7 g/mol | ||
| TCMBANKIN044964 | Ilekudinoside G | ilekudinoside g | 1073.2 g/mol | ||
| TCMBANKIN045229 | Rugosin G | ||||
| TCMBANKIN045244 | ligupurpuroside B | ligupurpuroside b | C35H46O17 | 738.7 g/mol | CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(C(OC(C3OC(=O)C=CC4=CC=C(C=C4)O)CO)OCCC5=CC=C(C=C5)O)O)C)O)O)O |
| TCMBANKIN045284 | secocarotanal | ||||
| TCMBANKIN045431 | Rosacorenone | ||||
| TCMBANKIN046705 | isodaucene | C15H24 | 204.35 g/mol | CC1=CCC2(CCC(C2CC1)C(=C)C)C | |
| TCMBANKIN047442 | Kudinoside G | kudinoside g | 1075.2 g/mol | ||
| TCMBANKIN047492 | Ilekudinol A | ilekudinol a | 454.6 g/mol | ||
| TCMBANKIN048297 | Kudinoside F | kudinoside f | 927.1 g/mol | ||
| TCMBANKIN049176 | Kudinoside J | kudinoside j | 600.8 g/mol | ||
| TCMBANKIN049241 | Rugosal D | ||||
| TCMBANKIN049897 | Ilekudinoside F | ilekudinoside f | C65H104O31 | 1381.5 g/mol | CC1C(C(C(C(O1)OC2C(C(C(OC2OC(=O)C34CCC(=C)C(C3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4)C)C)(C)C)OC8C(C(C(CO8)O)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(C(O1)CO)O)O)O)OC1C(C(C(C(O1)C)O)O)O)C)(C)O)CO)O)O)O)O)O |
| TCMBANKIN050190 | 3-phenglundecane | 232.404 | |||
| TCMBANKIN058060 | gallic acid | Spectrum4_001544; NSC-755825; 4CN-0954; KBio2_000822; NCGC00260064-01; KBio3_001168; CHEBI:30778; GTPL5549; D0Y3TZ; NCGC00091125-01; 632XD903SP; ARONIS23903; Spectrum5_000108; Jsp002851; T7419; Gallic acid, puriss., 98.0%; I14-9302; NCGC00091125-07; ZINC1504; 3,4,5-trihydroxybenzoic acid (ACD/Name 4.0); KBioGR_002008; AK-65266; pyrogallol-5-carboxylate; BRD-K77345217-001-01-9; Gallicum acidum; LNTHITQWFMADLM-UHFFFAOYSA-N; KBio2_003390; EBD679760; NCGC00091125-04; AJ-08037; Gallic acid; ZB000350; BG01502846; A808977; (?)-Gallic acid; WLN: QVR CQ DQ EQ; N1830; AC1NEVA5; SBB008781; 149-91-7; GALLIC ACID ANHYDROUS; Gallic acid [NF]; KS-00000IWM; CS-8191; LS-870; C01424; KS-00004784; CHEBI:16918; SPECTRUM210369; c0006; UNII-632XD903SP; ACMC-20aku5; CTK0H5618; BIDD:ER0374; AC1Q732X; NCGC00091125-02; F1908-0156; Oprea1_087792; CG0029; DSSTox_RID_75711; Kyselina 3,4,5-trihydroxybenzoova; 3-10-00-02070 (Beilstein Handbook Reference); RP23206; NSC36997; Gallic acid, certified reference material, TraceCERT(R); AI3-16412; CCG-38670; STK298718; Tox21_202515; bmse000389; AN-15162; AB00052697_03; SR-05000001537-2; NSC-36997; 1886-EP2374526A1; 5-Carboxybenzene-1,2,3-triol; KBio2_005958; SR-05000001537-3; NCGC00091125-05; KBio1_001347; Kyselina gallova [Czech]; KSC175M1R; KBioSS_000822; HMS2091A07; gallate; CPD-183; Spectrum3_000254; 78563C7D-0E2D-4766-A8EA-670A03C78FCF; gallic acid ; InChI=1/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12; GDE; SBI-0052184.P002; EINECS 205-749-9; CAS-149-91-7; Kyselina gallova; J3.617.291F; Benzoic acid, 3,4,5-trihydroxy-; BG00601456; DivK1c_006403; Benzoic acid,4,5-trihydroxy-; gallic acid for microelectronic industrial; BRN 2050274; Gallic acid tech.; NCGC00091125-03; Kyselina 3,4,5-trihydroxybenzoova [Czech]; Gallic acid, 97.5-102.5% (titration); gallicacid; 3,4,5-Trihydroxybenzoic acid, anhydrous; NSC674319; TR-020762; 3,4,5-tris(oxidanyl)benzoate; MCULE-1552954312; Gallic acid polymer; Pharmakon1600-00210369; BSPBio_001668; Tox21_111089; HMS1923K07; CCRIS 5523; BDBM50085536; NSC-674319; ST2404570; BB_SC-2795; AC-1206; 3,4,5-trihydroxy-Benzoic acid; Gallic Acid Hydrate; AC1L1934; RTR-020762; GALOP; Q-201146; SR-05000001537-1; DSSTox_CID_650; 3,4,5-Trihydroxybenzoic acid monohydrate, ACS, 98.0% min. 100g; 3,4,5-Trihydroxybenzoic acid ion; GALLICACID; s4603; CHEMBL288114; Gallic acid, tech.; NSC20103; 3,4,5-Trihydroxybenzoic acid; NSC755825; G0011; AB1002218; Gallic Acid, F; MolPort-000-881-260; NSC 674319; SPBio_000617; LNTHITQWFMADLM-UHFFFAOYSA-M; Spectrum_000342; PS-8710; SC-46383; FT-0626592; BBL009937; MFCD00002510; SpecPlus_000307; 3,4,5-trihydroxy-Benzoate; SCHEMBL15012; DSSTox_GSID_20650; ST083487; SR-05000001537; 3,5-Trihydroxybenzoic acid; 3,4,5-Trihydroxybenzoate, X; Tox21_111089_1; Gallic acid (Monohydrate or Anhydrous) (3,4,5-Trih; 3,4,5-Trihydroxybenzoic acid;; Z966690556; 3,4,5-Trihydroxybenzoate; SDCCGMLS-0066503.P001; Pyrogallol-5-carboxylic acid; BC200279; Spectrum2_000399; HY-N0523; HSDB 2117; AC1Q732Y; DTXSID0020650; 5-Trihydroxybenzoic acid; AKOS000119625; NSC 20103; Gallic acid, tech; 138-57-8; NSC-20103; AIDS-001349; gallate; CPD-183; Spectrum3_000254; KBio2_000822; Gallic acid monohydrate; AIDS-059239; KBio3_001168; Gallic acid, tech.; NSC20103; 3,4,5-Trihydroxybenzoic acid; InChI=1/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12; C01424; CHEBI:30778; EINECS 205-749-9; CHEBI:16918; NCGC00091125-01; c0006; J3.617.291F; SPECTRUM210369; Benzoic acid, 3,4,5-trihydroxy-; DivK1c_006403; NSC 674319; SPBio_000617; LNTHITQWFMADLM-UHFFFAOYSA-M; Spectrum_000342; Spectrum5_000108; NCGC00091125-02; BRN 2050274; Oprea1_087792; NCGC00091125-03; 3-10-00-02070 (Beilstein Handbook Reference); SpecPlus_000307; Kyselina 3,4,5-trihydroxybenzoova [Czech]; KBioGR_002008; AI3-16412; NSC674319; pyrogallol-5-carboxylate; 3,4,5-tris(oxidanyl)benzoate; AIDS001349; KBio2_003390; Gallic acid polymer; 1886-EP2374526A1; ZB000350; Gallic acid; BSPBio_001668; KBio2_005958; AIDS059239; CCRIS 5523; 3,4,5-Trihydroxybenzoate; SDCCGMLS-0066503.P001; Pyrogallol-5-carboxylic acid; A808977; 27645_RIEDEL; KBio1_001347; 398225_SIAL; Kyselina gallova [Czech]; WLN: QVR CQ DQ EQ; Spectrum2_000399; HSDB 2117; G7384_SIGMA; KBioSS_000822; GALOP; AC1NEVA5; SBB008781; 3,4,5-Trihydroxybenzoic acid monohydrate, ACS, 98.0% min. 100g; NSC 20103; 3,4,5-Trihydroxybenzoic acid ion; 149-91-7; 3,4,5-trihydroxybenzoic acid; Galllic acid | C7H6O5 | 170.12 | C1=C(C=C(C(=C1O)O)O)C(=O)O |
| TCMBANKIN058071 | gallic acid 3- o -(6-galloylglucoside) | Gallic acid-3-O-(6'-O-galloyl)glucoside; gallic acid-3-O-(6'-O-galloyl)-glucoside; 3,4-dihydroxy-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[oxo-(3,4,5-trihydroxyphenyl)methoxy]methyl]-2-tetrahydropyranyl]oxy]benzoic acid; 3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]tetrahydropyran-2-yl]oxy-benzoic acid; 3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl]oxybenzoic acid; gallicacid-3-o-(6'-o-galloyl)glucoside; 3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxyphenyl)carbonyloxymethyl]oxan-2-yl]oxy-benzoic acid; gallic acid-3-o-(6'-o-galloyl)-glucoside | C20H20O14 | 484.36 | C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC3=CC(=CC(=C3O)O)C(=O)O)O)O)O |
| TCMBANKIN058076 | myricetin | 3,3′,4′,5,5′,7-Hexahydroxyflavone; Lopac0_000740; EU-0100740; Myricetin; SPBio_002509; NCGC00015697-01; CAS-529-44-2; C10107; TNP00286; CHEBI:58395; S00115; NSC407290; ST057235; KBio2_001981; MYC; EINECS 208-463-2; 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-chromenone; NCI60_003870; 2-(3,4,5-TRIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-4H-1-BENZOPYRAN-4-ONE; Myricitin; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-; Cannabiscetin; 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromone; ZINC03860925; myricetin ; BSPBio_000570; NSC-407290; CHEBI:18152; Prestwick_342; Spectrum5_000692; M6760_SIGMA; 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-olate; NCGC00094083-04; 3,3',4,4',5',7-Hexahydro-2-phenyl-4H-chromen-4-one; ACon1_000267; Prestwick2_000465; NCGC00015697-02; 3,3',4',5,5',7-Hexahydroxyflavone; CCRIS 5838; FLAVONE, 3,3',4',5,5',7-HEXAHYDROXY-; 70050_FLUKA; KBio2_007117; AIDS-001411; 529-44-2; 5-18-05-00670 (Beilstein Handbook Reference); KBioGR_001884; 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE; Prestwick3_000465; KBio2_004549; Prestwick1_000465; Myricetol; NSC 407290; KBioSS_001981; AIDS001411; NCGC00015697-03; BRN 0332331; Lopac-M-6760; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)- (9CI); myricetin(1-); NCGC00094083-02; SpecPlus_000531; BPBio1_000628; 3,5,7,3',4',5'-Hexahydroxyflavone; 3,3'4'5,5'7-hexOH-Flavone; DivK1c_006627; MEGxp0_000357; Spectrum_001501; 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one; Prestwick0_000465; 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one; KBio1_001571; Spectrum4_001272; HY-15097; NCGC00015697-06; SPBio_002509; NCGC00015697-01; ST057235; KBio2_001981; 3,7,3',4',5'-Hexahydroxyflavone; Q-100601; LP00740; IKMDFBPHZNJCSN-UHFFFAOYSA-N; AN-939; 2-(3,4,5-TRIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-4H-1-BENZOPYRAN-4-ONE; M-1214; NCGC00094083-01; HMS1569M12; NCGC00015697-13; CM0160; 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one; NSC-407290; BS0289; 4CN-1085; MCULE-6299186219; SR-01000076005-1; HSDB 7682; KS-00000GOF; 529-44-2; KBioGR_001884; LS-69005; BRN 0332331; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)- (9CI); AKOS015903103; BPBio1_000628; 3,5,7,3',4',5'-Hexahydroxyflavone; C07E0ED2-ABF6-4BD3-A2B2-A98CAEF20FD1; NCGC00015697-05; DivK1c_006627; DB02375; NCGC00015697-10; Flavone,3',4',5,5',7-hexahydroxy-; Spectrum4_001272; MolPort-001-740-532; MLS006010718; TNP00286; CCG-204825; Myricetin (Cannabiscetin); Myricetin, >=96.0%, crystalline; KS-5268; SR-01000076005; NCI60_003870; AB0149714; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-; BIDD:PXR0079; SMR001233193; HMS3262C22; I14-19097; BSPBio_000570; Spectrum5_000692; 3,3 ,4 ,5,5 ,7-Hexahydroxyflavone; NCGC00094083-04; 3,3',4,4',5',7-Hexahydro-2-phenyl-4H-chromen-4-one; FLAVONE, 3,3',4',5,5',7-HEXAHYDROXY-; NCGC00094083-03; 529M442; NCGC00015697-09; 3,3',4',5,5',7-hexahydroxy-(8CI)- flavone; KBioSS_001981; cid_5281672; NCGC00015697-03; BBL023468; NCGC00094083-02; NCGC00179517-02; SpecPlus_000531; BC201817; HMS2231L04; BG01607805; A829320; NCGC00179517-01; 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one; KBio1_001571; FT-0672573; STL284709; REGID_for_CID_5281672; S00115; myricetin; 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one #; EINECS 208-463-2; MFCD00006827; AK111247; CHEBI:18152; GL5441; NCGC00261425-01; BIDD:ER0142; s2326; ACon1_000267; Prestwick2_000465; CCRIS 5838; KBio2_007117; 4H-1-Benzopyran-4-one,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-; MLS002153825; Prestwick1_000465; Prestwick3_000465; Bio-0838; KBio2_004549; NCGC00015697-07; Myricetol; Lopac-M-6760; BDBM15236; HMS2096M12; Myricetin, >=96.0% (HPLC); MEGxp0_000357; Spectrum_001501; 76XC01FTOJ; TR-018746; Prestwick0_000465; ST24041172; M 6760; AJ-46397; Lopac0_000740; EU-0100740; CAS-529-44-2; C10107; NSC407290; Myricetin from Myrica cerifera leaf and bark; 4gqr; 2o63; AC-4533; MYC; NCGC00015697-08; N1850; Myricitin; Cannabiscetin; D0T3PW; HMS3656I05; Tox21_500740; NCGC00015697-04; NCGC00015697-12; DTXSID8022400; Prestwick_342; 3,5,7-tris(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one; CS-6221; M2131; ZINC3874317; BRD-K43149758-001-04-5; CHEBI: 18152; 3,3',4',5,5',7-hexOH-Flavone; NCGC00015697-02; 3,3',4',5,5',7-Hexahydroxyflavone; Myricetin, analytical standard; UNII-76XC01FTOJ; NSC 407290; LMPK12110001; AX8140581; AC1NQYV4; SCHEMBL19302; 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyran-4-one; SR-01000076005-6; CHEMBL164; NCGC00015697-11; 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one; Myricetin, primary pharmaceutical reference standard; 3,3',4',5,5',7-hexahydroxyflavone | C15H10O8 | 318.23 g/mol | C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O |
| TCMBANKIN058089 | Norathyriol | 1,3,6,7-tetrahydroxy-9-xanthenone; DTXSID30188901; 1,3,6,7-Tetrahydroxyxanthen-9-one; SCHEMBL2418732; ACN-049134; NP-005102; AKOS028108772; norathyriol ; W2659; AIDS011168; 1,3,6,7-Tetrahydroxyxanthone; AIDS-011168; 3542-72-1; 1,3,6,7-Tetrahydroxyxanthonin; norathyriol; AC1NQYTS; MolPort-001-741-798; 58383-15-6; BG00966136; 9H-Xanthen-9-one, 1,3,6,7-tetrahydroxy-; 1,3,6,7-Tetrahydroxy-xanthen-9-one; 4CN-2425; ZINC6090922; 2,4,6,7-Tetrahydroxyxanthone; CHEBI:7622; CHEMBL187265; BDBM50155447; C10086; NRA; 1,3,6,7-Tetrahydroxyxantone; 1,3,6,7-TETRAHYDROXY-9H-XANTHEN-9-ONE; MCULE-4986517729; 9H-Xanthen-9-one,1,3,6,7-tetrahydroxy-; 1,3,6,7-tetrahydroxyxanthone | C13H8O6 | 260.2 | C1=C(C=C2C(=C1O)C(=O)C3=CC(=C(C=C3O2)O)O)O |
| TCMBANKIN058102 | isomangiferin | 1,3,6,7-tetrahydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]xanthone; 4-beta-d-glucopyranosyl-1,3,6,7-tetrahydroxy-9h-xanthen-9-one; BG01131577; ST24047436; AC1NSX2I; CS-4662; 9H-Xanthen-9-one, 4-beta-D-glucopyranosyl-1,3,6,7-tetrahydroxy-; 9H-Xanthen-9-one, 4-b-D-glucopyranosyl-1,3,6,7-tetrahydroxy-; FT-0686643; 1,3,6,7-tetrahydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]xanthen-9-one; DTXSID30179435; 1,3,6,7-tetrahydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-9-xanthenone; C16979; HY-N0772; BG01710745; AKOS024465129; Isomangiferin; ZINC33832006; 8154AH; AK163808; 24699-16-9; 1,3,6,7-tetrahydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one; (1S)-1,5-anhydro-1-(1,3,6,7-tetrahydroxy-9-oxo-9H-xanthen-4-yl)-D-glucitol; MolPort-020-005-868; Ambotz24699-16-9; Isomangiferin;; Q-100321; CHEBI:80840;ismangiferin | C19H18O11 | 422.34 | C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O |
| TCMBANKIN058130 | quercetin-３-Ｏ-galactoside | hyperin; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; SMR000466394; C10073; ACon1_000623; Quercetin 3-O-beta-D-galactopyranoside; Quercetin-3-O-galactoside;p Hyperin; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-; 482-36-0; Hyperin; Quercetin 3-galactoside; AIDS026341; Hyperasid; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; NSC 407304; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; Quercetin-3-O-galactoside; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; Hyperozide; AIDS-026341; MLS000759538; Quercetin 3-D-galactoside; EINECS 207-580-6; Quercetin-3-galactoside; Hyperin (8CI); Hyperoside; 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one; 83388_FLUKA; MEGxp0_000392; Hyperosid; Quercetin 3-beta-D-galactopyranoside | C21H19O12- | 463.4 g/mol | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)[O-] |
| TCMBANKIN058213 | kaemferol;kampferol;kaempferol;campherol | TNP00039; nchembio.2007.28-comp30; Kaempherol; 5-18-05-00251 (Beilstein Handbook Reference); Prestwick2_001098; CHEBI:28499; Prestwick1_001098; CAS-520-18-3; BRN 0304401; Flavone, 3,4',5,7-tetrahydroxy-; ST030560; MEGxp0_001283; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol; C.I. 75640; Swartziol; K0133_SIGMA; kaempferol oxoanion; NCGC00016480-01; 60010_FLUKA; EINECS 208-287-6; Pelargidenon; Nimbecetin; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-chromenone; NSC 407289; 3,4',5,7-Tetrahydroxyflavone; HSCI1_000027; Pelargidenolon 1497; NSC407289; Robigenin; C05903; CPD1F-90; Kampferol; NSC 656277; Prestwick0_001098; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one; Populnetin; Kampcetin; Prestwick3_001098; AIDS-001404; ZINC00137345; kaempferol ; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-olate; 3,4′,5,7-Tetrahydroxyflavone; Rhamnolutein; NCGC00016480-02; ACon1_001867; NSC656277; 3,4′,5,7-Tetrahydroxyflavone; BSPBio_001176; SPBio_003058; Oprea1_650954; 5,7,4'-Trihydroxyflavonol; 4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)- (9CI); Campherol; 520-18-3; 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE; S00111; Trifolitin; Kampherol; AI3-36096; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromone; Indigo yellow; Pelargidenolon; AIDS001404; nchembio718-comp14; NCGC00091036-01; Flavone, 3,4',5,7-tetrahydroxy- (7CI,8CI); CHEBI:58573; Kaemferol; Kempferol; BPBio1_001294; 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; Rhamnolutin; 3,5,7-triOH-Flavone; KMP; CCRIS 41; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)- | C15H10O6 | 286.24 g/mol | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
| 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 |
| TCMBANKIN058346 | 2-(2-phenylethyl) chromone | 2-(2-phenylethyl)chromone;Flindersiachromone;2-(2-phenylethyl)-4-chromenone; 2-(2-phenylethyl)chromen-4-one; C09007; Chromone, 2-(2-phenylethyl); 4H-1-Benzopyran-4-one, 2-(2-phenylethyl)-; | C17H14O2 | 250.29 g/mol | C1=CC=C(C=C1)CCC2=CC(=O)C3=CC=CC=C3O2 |
| 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 |
| 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 |
| TCMBANKIN058369 | α－ionone | 4-Hydroxycoumarin; 4-hyroxycoumarin; CHEMBL301141; WLN: T66 BOVJ EQ; 4-Hydroxy-2H-1-benzopyran-2-one; 4-Hydroxycoumarin, 98%; TRA-0204940; HMS1607G02; 22105-09-5; 4-Hydroxy-2H-chromen-2-one #; LS40467; RTC-020138; AK-49238; I14-4404; BG01501065; DB03410; Z56922074; 4-Hydroxycoumarin; NSC 11889; SR-01000389319; 1076-38-6; DB-014485; COUMARINOL; NCI60_000453; MolPort-000-294-754; MEGxm0_000452; VXIXUWQIVKSKSA-UHFFFAOYSA-N; SCHEMBL131312; 5-18-01-00378 (Beilstein Handbook Reference); A-9316; RP22489; 4-hydroxy-coumarin; 2-hydroxychromen-4-one; 4-Hydroxycoumarin, Vetec(TM) reagent grade, 98%; EINECS 214-060-2; AI3-52393; SC-00282; ANW-15833; TC-020138; 2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-; NCGC00179970-01; 4-Hydroxy-chromen-2-one; NSC11889; 4-Coumarinol; SMR000112320; ST2418405; MLS004491719; 4-Hydroxy-2H-1-benzopyran-2-one (4-Hydroxycoumarin); ACon1_001952; BRD-K48844111-001-01-4; BG01501064; KSC175M9D; 4-hydroxychromen-2-one; 4-HYDROXY-1-BENZOPYRAN-2-ONE; Coumarin, 4-hydroxy- (8CI); TL8000267; BRN 0129768; 4-hydroxy-2H-benzo[b]pyran-2-one; BG00601083; AH-034/32464035; Coumarin, 4-hydroxy-; EBD2035794; LS-39686; AKOS000119142; 4-Hydroxy coumarin; 2-Hydroxychromone; BBL027616; 4-Hydroxycoumarine; BB 0220623; BB_NC-0709; ICCB4_000134; 4HC; 4-HYDROXYCOUMARINS; 4H-1-Benzopyran-4-one, 2-hydroxy-; ST50211285; 4-hydroxy-2-oxo-2H-1-benzopyran; AN-1038; MCULE-5951606896; FT-0660645; SCHEMBL1961365; ZINC96006086; 4-Hydroxy-2H-chromen-2-one; ACMC-1BO7V; CBiol_000838; AJ-70366; SR-01000389319-1; DTXSID8061472; PubChem8693; NSC-11889; AM84328; ZINC18154848; J-515519; UNII-X954ZLL2RD; 4-hydroxycoumarin (OLD); STK801816; AC1L234K; J-620003; F0266-2972; MFCD00006856; 4-Monohydroxycoumarin; 4- Hydroxycoumarin; KB-39170; STR01861; 4-hydroxy-2-chromenone; CHEBI:40070; AC-13227; hydroxychromone; X954ZLL2RD; BDBM50055710; FT-0602218; InChI=1/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10; EU-0066799; C20414; Benzotetronic acid; SBB038533; AB0004657; CTK0H5691; 4-hydroxycoumarin | C9H6O3 | 162.14 | C1=CC=C2C(=C1)C(=CC(=O)O2)O |
| TCMBANKIN058484 | quinic acid | Cyclohexanecarboxylicacid, 1,3,4,5-tetrahydroxy-, (1a,3R,4a,5R); SCHEMBL12464756; Kinate; SCHEMBL13577075; 1,3,4,5-Tetrahydroxycyclohexane-carboxylic acid; quinate; quinicacid; Quinic acid; (3R)-1,3,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid; Chinate; SCHEMBL14960616; (1R,3R,4S)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid; (3R)-1,3,4,5-tetrahydroxy-1-cyclohexanecarboxylic acid; SCHEMBL39555; A839299 | C7H12O6 | 192.17 | C1C(C(C(CC1(C(=O)O)O)O)O)O |
| TCMBANKIN058486 | Heriguard | Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1S-(1alpha,3beta,4alpha,5alpha)]-; Chlorogenic acid (8CI); Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1S-(1.alpha.,3.beta.,4.alpha.,5.alpha.)]-; SDCCGMLS-0066467.P001; 202650-88-2; ACon1_000581; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,4,5-trihydroxy-1-cyclohexanecarboxylic acid; NSC407296; C00852; [1S-(1alpha,3beta,4alpha,5alpha)]-3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; Chlorogenic acid hemihydrate; Spectrum5_000733; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylic acid; 3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy] 1,4,5-trihydroxycyclohexanecarboxylic acid; CHEBI:16112; C12209; Prestwick0_000427; CCRIS 1400; Prestwick3_000427; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; EINECS 206-325-6; Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; Prestwick2_000427; 3-Caffeoylquinic acid; BSPBio_000414; DivK1c_007053; KBio1_001997; BPBio1_000456; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid; SMP1_000066; KBio2_002354; KBio2_004922; AIDS-012116; C3878_SIGMA; Caffeoyl quinic acid; SPECTRUM210800; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; 25700_FLUKA; trans-5-O-Caffeoyl-D-quinate; 1,3,4,5-tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate); SPBio_001836; BSPBio_003353; KBio3_002855; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; BB_NC-1939; NSC70861; NSC 407296; Chlorogenic acid; Chlorogenate; Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1S-(1-alpha,3-beta,4-alpha,5-alpha))-; Spectrum3_001797; 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate; Spectrum2_001898; AIDS012116; Spectrum_001846; 3-O-Caffeoylquinic acid; SPBio_002353; KBio2_007490; 5-O-(3,4-Dihydroxycinnamoyl)-L-quinic acid; cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; Prestwick_112; KBioSS_002357; NSC 70861; 3-(3,4-Dihydroxycinnamoyl)quinic acid; Prestwick1_000427; Hlorogenic acid; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,4,5-trihydroxy-1-cyclohexanecarboxylic acid; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; [1S-(1alpha,3beta,4alpha,5alpha)]3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; SpecPlus_000957; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)acryloyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; 3-O-(3,4-Dihydroxycinnamoyl)-D-quinic acid; 327-97-9; Chlorogenic acid (8CI); (+)-Chlorogenic acid; ZINC2138728; AJ-33519; SDCCGMLS-0066467.P001; 3-(3,4-Dihydroxycinnamoyl)quinate; Hoodia Chinese Extract; [1S-(1alpha,3beta,4alpha,5alpha)]-3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; NCGC00168941-03; AK-49688; CCRIS 1400; 3-CQ; 3-Caffeoylquinic acid; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexanecarboxylic acid; BPBio1_000456; Chlorogenic acid (constituent of echinacea angustifolia root, echinacea pallida root, echinacea purpurea root and echinacea purpurea aerial parts) [DSC]; 3-[3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid; UNII-318ADP12RI; 5-Caffeoylquinic acid; BB_NC-1939; (1S,3R,4R,5R,E)-3-(3-(3,4-dihydroxyphenyl)acryloyloxy)-1,4,5-trihydroxycyclohexanecarboxylic acid; CHLOROGENIC ACID; Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; 3-O-Caffeoylquinic acid; Caffetannic acid; Chlorogenic acid [MI]; ALBB-030169; 202650-88-2; CCG-38471; Cyclohexanecarboxylic acid, 3-(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; C00852; trans-5-O-Caffeoylquinic acid; HMS1923C11; MLS002153805; trans-5-O-caffeoyl-D-quinate; MolPort-035-394-873; CHEBI:16112; 3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy] 1,4,5-trihydroxycyclohexanecarboxylic acid; SMR000857273; Prestwick2_000427; Chlorogenic acid [WHO-DD]; SR-01000946600-1; Chlorogenic acid, European Pharmacopoeia (EP) Reference Standard; MCULE-8135887819; SR-01000841185; ACT03375; SPECTRUM210800; edit(1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid; SR-01000946600; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylicacid; PubChem13036; 3-[(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid; Chlorogenate; AC1LX54Y; (1S,3R,4R,5R)-3-[(E)-3-(3,4-DIHYDROXY-PHENYL)-ACRYLOYLOXY]-1,4,5-TRIHYDROXY-CYCLOHEXANECARBOXYLIC ACID; Chlorogenic?acid; Quinic acid, 3-caffeoyl-, E-; NCGC00168941-01; AC-6032; AKOS015955866; 32CF6D13-8F08-485F-B79E-F8A6AC318E07; (1S,3R,4R,5R)-3-((E)-3-(3,4-dihydroxyphenyl)acryloyloxy)-1,4,5-trihydroxycyclohexanecarboxylic acid; Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1S-(1alpha,3beta,4alpha,5alpha)]-; (1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid; TL8001703; [1S-(1alpha,3beta,4alpha,5alpha)]3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; NSC-407296; 3-O-(3,4-Dihydroxycinnamoyl)-D-quinic acid; Chlorogenic acid, United States Pharmacopeia (USP) Reference Standard; Hlorogenate; 3-trans-Caffeoylquinic acid; BG00688012; ACon1_000581; Chlorogenic acid, Chiral; HMS2235F03; NSC407296; J10338; ST2419179; Quinic acid, 5-caffeoyl-; CC-919; 318ADP12RI; Prestwick3_000427; EINECS 206-325-6; NCGC00168941-02; 3-o-caffeoylquinic acid ; CHEBI:95271; BIDD:ER0453; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid; 327C979; 3-Caffeoylquinate; HY-N0055; 1,3,4,5-tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate); NSC70861; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1S-(1-alpha,3-beta,4-alpha,5-alpha))-; CHEMBL284616; CWVRJTMFETXNAD-JUHZACGLSA-N; 5-CQA; NSC 70861; (1S,3R,4R,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylic acid; bmse000387; Hlorogenic acid; LS-1202; SCHEMBL19466; (1R,3S,4S,5S)-3-[(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid; MolPort-001-740-212; Chlorogenic acid (constituent of st. john's wort) [DSC]; RL03176; Chlorogenic acid, primary pharmaceutical reference standard; AS-12284; MFCD00003862; 3-CQA; NSC-70861; Spectrum5_000733; D02HCQ; DB12029; SR-01000841185-4; HMS2096E16; s2280; Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; SC-13943; HMS3649E06; Chlorogenic acid, >=95% (titration); I04-11738; 5-caffeoyl quinic acid; 3-O-caffeoyl quinic acid; CS-3766; Caffeoyl quinic acid; Chlorogenicacid; BSPBio_003353; BDBM50327036; BC202916; NSC 407296; HMS1569E16; caffeoylquinic acid; CP chlorogenic acid; 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate; 3-O-caffeoyl-D-quinic acid; trans-Caffeic acid 5-o-D-quinate; (1S,3R,4R,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylic acid; Heriguard; 5-O-(3,4-Dihydroxycinnamoyl)-L-quinic acid; cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; Prestwick_112; 3-(3,4-Dihydroxycinnamoyl)quinic acid; BRD-K47114202-001-06-2; D54CAE3D-CDDA-455D-A28E-77FC9EFE4A43; BSPBio_000414; 327-97-9; CC0158; K-7597; 3-o-caffeoylquinic acid; caffetannic acid;caffeoylquinic acid ; 3- caffeoylquinic acid; 4-o-caffeoyl-d-quinic acide; [3-4] Chlorogenic acid; Chlorgenic acid; 4-o-caffeoyl-d-quinic acide; 5-caffeoylquinic acid; isochlorogenic acid; 5-Dicaffeoylquinic acid; isochlorogenic acid a; 5-o-caffeoylquinic acid; (1R,3R,4S,5R)-3-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; 5-o-caffeoylquinic acid ; 5-Caffeylquinic acid; trans-5-O-caffeoyl-D-quinic acid; 5- O- caffeoylquinicacid; (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid; ACon1_000392; 5- o -caffeoylquinic acid; (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,4,5-trihydroxy-1-cyclohexanecarboxylic acid; 1D-[1(OH),3,4/5]-3-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; 906-33-2; Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1R-(1alpha,3alpha,4alpha,5beta))-; (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; (1R-(1alpha,3alpha,4alpha,5beta))-3-((3-(3,4-Dihydroxyphenyl)-1-oxoallyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylic acid; CHEBI:16384; EINECS 212-997-1; 3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid; BIB6027; 3-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid; NSC-407297; AKOS022146313; neochlorogenicacid; CWVRJTMFETXNAD-DUXPYHPUSA-N; BDBM153327; 3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexanecarboxylic acid; 5-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,3,4-trihydroxycyclohexanecarboxylic acid; neo-chlorogenic,acid; 3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid; STL377917; 5-caffeoylquinic acid; neo-chlorogenic acid; NSC407297; ZX-AT010530; Isochlorogenic acid; 5-O-caffeoyl quinic acid; 5Z-Caffeoylquinic acid; AC1NSTIZ; BBL028113; OR1166; BPH-1068; 534-61-2; SCHEMBL1228850; MolPort-001-759-169; neochlorogenic acid; 3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexanecarboxylic acid; Neochlorogenic acid; isochlorogenic acid; isochlorogenicacid; ZINC3947476; NCGC00142471-01; NCGC00017241-02; AKOS025402181; CHEMBL1552319; AC-6051; chorogenic acid; 1,3-caffeoylquinic acid | C16H18O9 | 354.31g/mol | C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O |
| TCMBANKIN058498 | rugosin E | rugosin a, e, d & g; D-Glucose, cyclic 4.fwdarw.2':6.fwdarw.2-[(1S)-4-[6-[[[4,6-O-[[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-diyl]dicarbonyl]-2,3-bis-O-(3,4,5-trihydroxybenzoyl)-.beta.-D-glucopyranosyl]oxy]carbonyl]-2,3,4-trihydroxyphenoxy]-4',5,5',6,6'-pentahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate] 2,3-bis(3,4,5-trihydroxybenzoate); Rugosin E; D-Glucose, cyclic 4-2':6-2-(4-(6-(((4,6-O-((4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-diyl)dicarbonyl)-2,3-bis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyl)oxy)carbonyl)-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 2,3-bis(3,4,5-trihydroxy; rugosin e; 84744-51-4; [hexahydroxy-dioxo-bis[(3,4,5-trihydroxybenzoyl)oxy][?]yl] 2-[hexahydroxy-dioxo-[(1S,2R)-3-oxo-1,2-bis[(3,4,5-trihydroxybenzoyl)oxy]propyl][?]yl]oxy-3,4,5-trihydroxy-benzoate | C75H54O48 | 1723.2 | C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)OC4=C(C(=C(C=C4C(=O)OC5C(C(C6C(O5)COC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O6)O)O)O)O)O)O)OC(=O)C9=CC(=C(C(=C9)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O)O)O)O)O)O)O)C(C(C=O)OC(=O)C1=CC(=C(C(=C1)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)O |
| TCMBANKIN058520 | catechin c;epicatechin;alpha-catechin;(-)epicatechin | epi-Catechol; (3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol; SCHEMBL13350313; Epicatechin; (.+-.)-Epicatechol; (+/-)-Epicatechin; AC1L5SMJ; L-Epicatechin; Epicatechol, (-)-; 17334-50-8; NSC-81162; 2H-1-Benzopyran-3,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-cis)-; epicatechin ; NSC81162; (3R)-2-(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-3,5,7-TRIOL; 2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3alpha,5,7-triol; NSC-81161; NSC81161;EINECS 207-710-1; KBio2_003207; SpecPlus_000267; (+/-)-Epicatechin; SMP1_000115; AIDS-001347; NSC81161; STOCK1N-16439; (-)-epicatechin; KBioGR_001538; NSC 81161; .alpha. Catechin; BCBcMAP01_000224; KBio1_001307; 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R,3R)-; CCRIS 7097; 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-cis)- (9CI); C09727; (- )-epicatechin; KBio2_005775; Spectrum3_000243; KBioSS_000639; NCGC00015215-01; (-)-Epicatechin; 2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3alpha,5,7-triol; 17334-50-8; ZINC00119988; (2R,3R)-2-(3,4-dihydroxyphenyl)chroman-3,5,7-triol; SCHEMBL13350313; (-)- epicatechin; (3R)-2-(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-3,5,7-TRIOL; (.+-.)-Epicatechol; E4018_SIGMA; CHEBI:28466; NSC81162; Spectrum4_000949; 525952_ALDRICH; NSC-81162; DivK1c_006363; 2545-08-6; (-)-(2R:3R)-5,7,3',4'-Tetrahydroxyflavan-3-ol; (−)-Epicatechin; AC1L5SMJ; Lopac-C-1251; NCGC00016415-02; (2R,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol; (3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol; Spectrum5_000929; l-Acacatechin; AIDS001347; E1753_SIGMA; 39263_FLUKA; (-)epicatechin ; Epicatechin; 2H-1-Benzopyran-3,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-cis)-; Spectrum2_000675; 490-46-0; KBio3_001126; KBio2_000639; Prestwick_203; (−)-cis-3,3′,4′,5,7-Pentahydroxyflavane; NCGC00016415-01; (-)-epicatechin ; Epicatechin-(-); SDCCGMLS-0066927.P001; CAS-7295-85-4; (- )- epicatechin; 2-(3,4-Dihydroxyphenyl)-2,3,4-trihydro-3,5,7-trihydroxychromene; SPBio_000769; L-Epicatechin; epi-Catechol; Oprea1_209947; NSC-81161; (-) epicatechin; SPECTRUM210206; BSPBio_001626; (2R,3R)-(-)-Epicatechin; Spectrum_000159; (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol; epi-Catechin; CAS-154-23-4; ACon1_001106; Epicatechol, (-)- | C15H14O6 | 290.27 | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O |
| TCMBANKIN058521 | (-)-epicatechin-3-gallate | epicatechin-3-gallate; L-Epicatechin gallate; (-)-epicatechin gallate; (+)- Catechin gallate table; catechin gallate; 7-o-galloyl- (+) -catechin; (-)-epicatechin-3-o-gallate; (?)-epicatechin-3-o-gallate; (-)-Catechin gallate; Epicatechin gallate; (-)-Epicatechin-3-gallate; KBioSS_000794; 1257-08-5; DivK1c_006371; Spectrum2_000165; NSC 636594; KBioGR_001980; Epicatechol, 3-gallate, (-)- (8CI); [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate; (−)-Epicatechin gallate; SPECTRUM210238; KBio2_003362; [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-3-yl] 3,4,5-trihydroxybenzoate; MEGxp0_000810; KBio1_001315; (-)-Epicatechin gallate; SpecPlus_000275; BSPBio_001632; KBio2_000794; SPBio_000029; (−)-cis-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-gallate; Spectrum5_000080; SDCCGMLS-0066549.P001; Spectrum3_000246; E3893_SIAL; Spectrum_000314; Epicatechol, gallate (6CI); 3,4,5-trihydroxybenzoic acid [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] ester; KBio3_001132; Spectrum4_001540; Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, (2R-cis)-; Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7- dihydroxy-2H-1-benzopyran-3-yl ester, (-)-cis-; AIDS000675; 3,4,5-trihydroxybenzoic acid [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-chromanyl] ester; KBio2_005930; Benzoic acid, 3,4,5-trihydroxy-, (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester; (−)-cis-3,3′,4′,5,7-Pentahydroxyflavane 3-gallate; AIDS-000675; catechin gallate ; catechin-3 gallate; CG; 7-o-galloyl-(+)-catechin; (-)-Epicatechin-3-O-gallate,; (-)-Epicatechin-3-gallate,; (-)-epicatechin 3-o-gallate ; SpecPlus_000275; (-)-Epicatechin gallate; KBioSS_000794; [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-3-yl] 3,4,5-trihydroxybenzoate; Benzoic acid, 3,4,5-trihydroxy-, (2S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester; LMPK12020090; KBio2_003362; ECG; 92587OVD8Z; 1257-08-5; 3,4,5-Trihydroxybenzoic Acid (2R,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl Ester; AS-15722; Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, (2R-cis)-; UNII-92587OVD8Z; KBio3_001132; 3-Galloyl-(2R,3R)-(-)-Epicatechin; SR-05000002675; (-)-cis-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-gallate; CCG-38376; (-) epicatechin gallate; NSC636594; 3,4,5-Trihydroxy-benzoic acid 2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-chroman-3-yl ester; 3-O-Galloylepicatechin; CHEMBL36327; BDBM50153015; (-)-epicatechingallate; Epicatechin gallate; (-)-cis-3,3',4',5,7-Pentahydroxyflavane 3-gallate; AM84365; Q-200002; Epicatechol, 3-gallate, (-)-; ZINC3978503; SCHEMBL39047; C-22380; KBio1_001315; (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate; epi-Catechin 3-O-gallate; MolPort-001-740-964; (-)-epi-Catechin 3-O-gallate; DivK1c_006371; Epicatechol, gallate (6CI); (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate; C22H18O10; Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7- dihydroxy-2H-1-benzopyran-3-yl ester, (-)-cis-; BRD-K50660797-001-01-0; NSC 636594; epicatechin-3-O-gallate; Epicatechin 3-gallate; (-)-Epicatechin-3-gallate; (-)-Epicatechin gallate,; (-)epicatechingallate; HY-N0002; epicatechin gallate, (2R-cis)-isomer; L-Epicatechin gallate; NCGC00179135-01; (-)-Epicatechin-3-O-gallate; KBio2_000794; SDCCGMLS-0066549.P001; CTK8E0233; epicatechin monogallate; CS-3761; BSPBio_001632; 3,4,5-Trihydroxy-benzoic acid (2R,3R)-2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-chroman-3-yl ester; 2.57E+87; AC-6037; AN-48941; Teatannin; Spectrum_000314; Spectrum5_000080; MEGxp0_000810; [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate; Epicatechin gallate, primary pharmaceutical reference standard; Spectrum2_000165; (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-3-yl 3,4,5-trihydroxybenzoate; Benzoic acid, 3,4,5-trihydroxy-, (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester; Epicatechol, gallate; NP-002326; AC1L32YN; 3-Galloyl-(-)-epicatechin; (-)-Epicatechin 3-O-gallate; SPECTRUM210238; SPBio_000029; ST24033389; AC1Q5X10; Epicatechol, 3-gallate, (-)- (8CI); KBio2_005930; AJ-47571; MCULE-8110076741; Spectrum4_001540; epicatechin gallate (ECG); E0890; [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate; (-)-Epicatechin gallate, >=98% (HPLC), from green tea; AKOS015965216; SR-05000002675-1; 3-Gallate(-)-Epicatechol; CHEBI:70255; KB-277863; LS-38401; LSHVYAFMTMFKBA-TZIWHRDSSA-N; (-)-cis-3,3 inverted exclamation marka,4 inverted exclamation marka,5,7-Pentahydroxyflavane 3-gallate; MFCD00075936; AX8001457; AB0017581; KBioGR_001980; Spectrum3_000246; CE0014; Q429; AIDS-231457; [(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-3-yl] 3,4,5-trihydroxybenzoate; 3,4,5-trihydroxybenzoic acid [(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] ester; [(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate; Benzoic acid, 3,4,5-trihydroxy-, (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester; 3,4,5-trihydroxybenzoic acid [(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-chromanyl] ester; AIDS231457; 3,4,5-trihydroxybenzoic acid [(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] ester; (-)-epicatechin gallate; epicatechin-3 gallate; 3,4,5-trihydroxybenzoic acid [(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-chromanyl] ester; epicatechin gallate ; [(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-3-yl] 3,4,5-trihydroxybenzoate; Epicatechin-3-gallate; [(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate; epicatechin gallate; Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, cis-; Epicatechin-3-galloyl ester; 863-03-6 | C22H18O10 | 442.4 g/mol | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
| TCMBANKIN058642 | cucurbitine | 3-Pyrrolidinecarboxylicacid, 3-amino-, (3S)-; (3R)-3-amino-3-pyrrolidinecarboxylic acid; AJ-76966; (3R)-3-aminopyrrolidine-3-carboxylic acid; EN300-86270; AC1Q4UAC; Cucurbitine; (S)-3-Aminopyrrolidine-3-carboxylic acid; (3S)-(?)-Cucurbitine; J-002967; 113473-30-6; BG00900626; 3-Pyrrolidinecarboxylic acid, 3-amino-, (R)-; (S)-(-)-Cucurbitine; 6807-92-7; Z2135; AK433912; 3-Pyrrolidinecarboxylic acid, 3-amino-, (3S)- (9CI); FCH932429; ZINC20286389; C10140; CTK0H2942; AKOS006237198; (3S)-3-aminopyrrolidine-3-carboxylic acid;pumpkin;cucurbitin | C5H10N2O2 | 130.15 g/mol | C1CNCC1(C(=O)O)N |
| TCMBANKIN058704 | lupeol | AC-1371; AKOS015960466; SCHEMBL14067725; 4CN-0933; C08628; BC201808; Lup-20(29)-en-3.beta.-ol; NSC90487; ZINC04081455; D0RA6H; Lupeol; LMPR01060013; lupeol ; Monogynol B; .beta.-Viscol; NCI60_042005; lup-20(29)-en-3beta-ol; Lupenol | C30H50O | 426.7 g/mol | CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C |
| TCMBANKIN058706 | betulin | AKOS025402304; Ambotz473-98-3; betulin ; AC-7983; SCHEMBL9888462; (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-ol; FVWJYYTZTCVBKE-MAIYTPNSSA-N; ; Trochol; 18211-63-7; C08618; Messagenin; 473-98-3; AIDS002710; B9757_SIGMA; ZINC03978650; Prestwick3_000990; Betulin; MEGxp0_001726; AI3-62999; BSPBio_001059; Lup-20(30)-ene-3beta,28-diol; C08631; Betulinol; ACon1_000091; AIDS-002710; Lup-20(29)-ene-3beta,28-diol; BPBio1_001165; Betuline; Lup-20(29)-ene-3,28-diol, (3beta)-; NSC 4644; (3.beta.)-Lup-20(29)-ene-3,28-diol; NSC692218; EINECS 207-475-5; Betulinic alcohol; ST5411404; Trochol | C30H50O2 | 442.7g/mol | CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO |
| TCMBANKIN058713 | isodaucenoicacid | isodaucenol | C15H22O2 | 234.33 g/mol | CC(=C)C1CCC2(C1CCC(=CC2)C(=O)O)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 |
| TCMBANKIN059060 | Phenethyl acetate | .beta.-Phenylethyl acetate; C12303; 2-Phenethyl acetate; NSC71927; Ethanol, 2-phenyl-, acetate; beta-Phenylethyl acetate; Phenylethyl acetate; Phenylethyl acetate-.beta.; Phenethyl acetate (natural); NSC 71927; AI3-03878; 290580_ALDRICH; 2-phenylethyl ethanoate; EINECS 203-113-5; NCIOpen2_000347; Acetic acid, phenethyl ester; .beta.-Phenethyl acetate; Phenethyl alcohol, acetate; (2-PHENYLETHYL)ACETATE; ZINC00388671; acetic acid 2-phenylethyl ester; 46030_FLUKA; W285714_ALDRICH; ST5405467; Acetic acid, 2-phenylethyl ester; 2-Phenylethyl acetate; 103-45-7; Benzylcarbinyl acetate; W285706_ALDRICH; BRN 0638179; InChI=1/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H; FEMA No. 2857; WLN: 1VO2R; 4-06-00-03073 (Beilstein Handbook Reference);2-phenylethyl acetate;phenylethyl acetate | C10H12O2 | 164.2 | CC(=O)OCCC1=CC=CC=C1 |
| TCMBANKIN059214 | Rugosal | 121387-05-1; C09717; rugosal;rugosal a;AC1L9CQB; CHEBI:8910; DTXSID10331817; 121387-05-1; C09717; Rugosal | C15H22O4 | 266.33 g/mol | CC(C)C1CCC2(C13C(C=C(C(C2)OO3)C=O)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 |
| TCMBANKIN059588 | bisaborosaol b1 | C16H26O4 | CC1(CCC(O1)C(C)(C)O)C2CCC(=CC2)C(=O)OC | ||
| TCMBANKIN059599 | taraxe-rol | C30H50O | 426.7 g/mol | CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)C)C | |
| TCMBANKIN059609 | 28-O-β-D-xylopyranosyl-(1 → 3 )-O-α-L-rhamnopyranosyl-(1 → 2)-β-D-glucopyranosyl(1→6 )-β-D-glucopyranoside arjunolic acid | C36H58O10 | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O)C | ||
| TCMBANKIN059614 | Amyrin | C30H50O | 426.72 | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C)C | |
| TCMBANKIN059982 | d-limonene | C10H16 | 136.23 g/mol | CC1=CCC(CC1)C(=C)C | |
| TCMBANKIN059988 | ()-p-Menth-1-ene | C10H18 | 138.25 g/mol | CC1=CCC(CC1)C(C)C | |
| TCMBANKIN060195 | ilekudinoside A | 1059.39 | CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)C)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)O | ||
| TCMBANKIN060264 | rutin | C27H30O16 | 610.5 g/mol | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O | |
| TCMBANKIN060411 | 27-deoxyactein | C37H56O10 | 660.8 g/mol | CC1CC2(C3C(O3)(CO2)C)OC4C1C5(C(CC67CC68CCC(C(C8CCC7C5(C4)C)(C)C)OC9C(C(C(CO9)O)O)O)OC(=O)C)C | |
| TCMBANKIN060445 | delta3-menthene | CC1CCC(=CC1)C(C)C | |||
| TCMBANKIN060544 | alpha-amyrin | C30H50O | 426.72 g/mol | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C | |
| TCMBANKIN060548 | NSC 159627 | C30H50O2 | 442.72 | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)CO | |
| TCMBANKIN060553 | Ziyuglycoside I | C41H66O13 | 767 g/mol | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(CO6)O)O)O)C)C)C2C1(C)O)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O | |
| TCMBANKIN060693 | Sitogluside | C35H60O6 | 576.85g/mol | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C | |
| TCMBANKIN060819 | 2-heptenal;E-2-Heptenal;cis-Hept-2-enal;trans-2-heptenal;(E)-2- heptenal;Heptenal;beta-heptenal;(Z)-2-heptenal;2- Heptenal,(E)-;alpha-heptenal | C7H12O | 112.17 g/mol | CCCCC=CC=O | |
| TCMBANKIN061005 | TRIDECANONE | C13H26O | 198.34g/mol | CCCCCCCCCCCC(=O)C | |
| TCMBANKIN061058 | n-hexadecane | C16H34 | 226.44 g/mol | CCCCCCCCCCCCCCCC | |
| 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 |
植物对应的疾病
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植物对应的靶点
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