Plant Summary
Plant Information
TCMBank_ID: | TCMBANKHE003520 |
ID: | TCMBANKHE003520 |
植物拉丁名: |
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药用植物名: | 黑豆 |
药味: | Mild; Sweet |
经络: | Spleen; Kidney |
治疗类型: | 补阴药 |
TCM_ID_id: | 4090 |
SymMap_id: | 164 |
TCMSP_id: | 331 |
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 |
|---|
| TCMBANKIN000094 | choline | Choline chloride; choline hydroxide | C5H14NO+ | 104.17 g/mol | C[N+](C)(C)CCO |
| TCMBANKIN000886 | Soyasaponin A1 | soyasaponin a1 | C59H96O29 | 1269.38 | CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1O)OC6C(C(C(CO6)O)OC7C(C(C(C(O7)CO)O)O)O)O)C)C)C)(C)CO)OC8C(C(C(C(O8)C(=O)O)O)O)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(C(O1)CO)O)O)O)C)C |
| TCMBANKIN001434 | Cadina-9,11(12)-diene | cadina-9,11(12)-diene | 204.39 | CC1CCC2C(C1)C(CC=C2C)C(=C)C | |
| TCMBANKIN001481 | Phenylcyclopropane | NSC 3018; Cyclopropane, phenyl-; 158011_ALDRICH; NSC3018; Benzene, cyclopropyl-; Cyclopropylbenzene; 1-Phenylcyclopropane; InChI=1/C9H10/c1-2-4-8(5-3-1)9-6-7-9/h1-5,9H,6-7H; 873-49-4; EINECS 212-839-1 | C9H10 | 118.18 | C1CC1C2=CC=CC=C2 |
| TCMBANKIN001500 | Soyasaponin_qt | 458.8 | |||
| TCMBANKIN002148 | METHYL PALMITOLEATE | P9667_SIGMA; Methyl (Z)-hexadec-9-enoate; InChI=1/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h8-9H,3-7,10-16H2,1-2H3/b9-8; 76176_FLUKA; methyl (9Z)-hexadec-9-enoate; 9-Hexadecenoic acid, methyl ester, (Z)-; EINECS 214-303-2; 1120-25-8; Palmitoleic acid methyl ester; Methyl cis-9-hexadecenoate; (Z)-hexadec-9-enoic acid methyl ester; 9-hexadecenoic acid, methyl ester, (9Z)-; AI3-36450 | C17H32O2 | 268.43 | CCCCCCC=CCCCCCCCC(=O)OC |
| TCMBANKIN003035 | malonyl-genistin | C24H22O13 | 518.4 g/mol | C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)O | |
| TCMBANKIN003718 | soy lecithin | ||||
| TCMBANKIN003910 | Heptylbenzene | 78638_FLUKA; EINECS 214-084-3; 1078-71-3; Heptane, 1-phenyl-; 113182_ALDRICH; Heptane, 1(or 7)-phenyl-; NSC97413; Heptane, 1-phenyl- (8CI); n-Heptylbenzene; 1-PHENYLHEPTANE; NSC 97413; Benzene, heptyl- | C13H20 | 176.3 | CCCCCCCC1=CC=CC=C1 |
| TCMBANKIN004221 | Soyasapogenol D | soyasapogenol d | C31H52O3 | 472.74 | CC1(CC(C2(CCC3(C(=C2C1)CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C)C)OC)C |
| TCMBANKIN004272 | Daidzein-4,7-diglucoside | 7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-3-[4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]-4-chromenone; 4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3-(4-(beta-D-glucopyranosyloxy)phenyl)-; 7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one; 7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyphenyl]chromone; Daidzein 4',7-diglucoside; 53681-67-7; 7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]chromen-4-one | C27H30O14 | 578.52 | C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O |
| TCMBANKIN004983 | (1Z,5Z)-cyclodeca-1,5-diene | C10H16 | 136.23 | ||
| TCMBANKIN005500 | 8-[(2S)-2,3-dihydroxy-3-methyl-butoxy]-4-methoxy-1-methyl-carbostyril | 8-[(2S)-2,3-dihydroxy-3-methylbutoxy]-4-methoxy-1-methyl-2-quinolinone; 8-[(2S)-2,3-dihydroxy-3-methylbutoxy]-4-methoxy-1-methylquinolin-2-one; 8-[(2S)-2,3-dihydroxy-3-methyl-butoxy]-4-methoxy-1-methyl-quinolin-2-one; ZINC00035533 | C16H21NO5 | 307.34 | |
| TCMBANKIN005526 | Soyasaponin A3 | soyasaponin a3 | C48H78O19 | 959.12 | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(C(C8O)O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O |
| TCMBANKIN005812 | Stearonitrile | AI3-14660; BRN 0972464; 122580_ALDRICH; Nitril kyseliny stearove; Stearinsaeurenitril [German]; 638-65-3; Heptadecyl cyanide; NSC5541; Oktadekannitril [Czech]; Octadecanoic acid, nitrile; Octadecanenitrile; 1-Cyanoheptadecane; WLN: NC17; NCGC00164046-01; EINECS 211-345-3; HSDB 5735; Nitril kyseliny stearove [Czech]; Nitril kyseliny stearove [Czech]; NSC 5541; OCTADECANONITRILE | C18H35N | 265.48 | CCCCCCCCCCCCCCCCCC#N |
| TCMBANKIN006711 | sinapic acid | A829376; (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoic acid; 3-(3,5-Dimethoxy-4-hydroxyphenyl)acrylate; ST5308240; (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoic acid; InChI=1/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13; 85429_FLUKA; 2-propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, (2E)-; 3,5-Dimethoxy-4-hydroxycinnamic acid; (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate; (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid; ZB005508; 2-propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-; C00482; sinapicacid; 49508_FLUKA; MLS001066354; Sinapic acid; SXX; 3-(4-hydroxy-3,5-dimethoxyphenyl)acrylic acid; 3,5-dimethoxy-4-hydroxycinnamic acid; 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid; trans-sinapate; AIDS024970; (E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-enoate; AC1NUT1R; NSC59261; (E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propenoic acid; CHEBI:30023; 4-Hydroxy-3,5-dimethoxy-cinnamic acid; 2-Propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, (E)-; Synapoic acid; SINAPINATE; (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acrylic acid; 530-59-6; AIDS-024970; D7927_SIGMA; SMR000471879; (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoate; (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acrylic acid; CHEBI:15714; CINNAMIC ACID,3,5-DIMETHOXY,4-HYDROXY; (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate; Cinnamic acid, 4-hydroxy-3,5-dimethoxy-, (E)-; (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid; InChI=1/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3; 7362-37-0; 3-(4-hydroxy-3,5-dimethoxy-phenyl)acrylic acid; 3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoic acid; 3,5-dimethoxy-4-hydroxycinnamate; 4-hydroxy-3,5-dimethoxycinnamate | C11H12O5 | 224.21 | COC1=CC(=CC(=C1O)OC)C=CC(=O)O |
| TCMBANKIN007092 | glucuronic acid | ZINC3869801; CHEBI:28860; glucuronicacid; C08350; (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid; (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-2-tetrahydropyrancarboxylic acid; BDP; beta-D-Glucuronic acid; (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid; GCU; BETA-D-GALACTOPYRANURONIC ACID; beta-L-Altropyranuronic acid; beta-D-Glucopyranuronic acid; SCHEMBL15596882; BIG1006 | C6H10O7 | 194.14 | C1(C(C(OC(C1O)O)C(=O)O)O)O |
| TCMBANKIN007341 | Soyasaponin A6 | soyasaponin a6 | C51H82O22 | 1047.18 | CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1O)OC6C(C(C(CO6)O)OC7C(C(C(CO7)O)O)O)O)C)C)C)(C)CO)OC8C(C(C(C(O8)C(=O)O)O)O)OC9C(C(C(CO9)O)O)O)C)C |
| TCMBANKIN008005 | Imidazole, 2-acetoxy- | 1H-imidazol-2-yl ethanoate; 1H-imidazol-2-yl acetate; acetic acid 1H-imidazol-2-yl ester | C5H6N2O2 | 126.11 g/mol | CC(=O)OC1=NC=CN1 |
| TCMBANKIN008382 | 4-[(E)-2-(2,4-dihydroxyphenyl)vinyl]resorcinol | 4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]benzene-1,3-diol; 4-[(E)-2-(2,4-dihydroxyphenyl)vinyl]benzene-1,3-diol | 244.26 | ||
| TCMBANKIN008423 | luteolin 7-beta-d-glucopyranoside | ||||
| TCMBANKIN008661 | HEXATRIACONTANE | 630-06-8; Hexatriacontane; 442680_SUPELCO; AI3-52389; NSC407536; EINECS 211-127-8; 2040-92-8; n-Hexatriacontane; H12552_ALDRICH; 52920_FLUKA; 52919_FLUKA; NSC 407536 | C36H74 | 506.97 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| TCMBANKIN009012 | Soyasaponin A2 | soyasaponin a2 | C53H86O24 | 1107.24 | CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1O)OC6C(C(C(CO6)O)OC7C(C(C(C(O7)CO)O)O)O)O)C)C)C)(C)CO)OC8C(C(C(C(O8)C(=O)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C |
| TCMBANKIN009201 | Olealdehyde, dimethyl acetal | (Z)-1,1-dimethoxyoctadec-9-ene; [(Z)-1-methoxyoctadec-9-enoxy]methane; 9-Octadecene, 1,1-dimethoxy-, (Z)- | C20H40O2 | 312.53 | CCCCCCCCC=CCCCCCCCC(OC)OC |
| TCMBANKIN013016 | Pinolenic acid | 5,9,12-octadecatrienoic acid; Columbinic acid; (5E,9E,12E)-octadeca-5,9,12-trienoic acid; LMFA01030342; trans-5,9,12-Octadecatrienoic acid; 13237-97-3 | C18H30O2 | 278.43 | CCCCCC=CCC=CCCC=CCCCC(=O)O |
| TCMBANKIN013264 | Soyasapogenol E | soyasapogenol e | C30H48O3 | 456.7 | CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(=O)C1)C)C)C)(C)CO)O)C)C |
| TCMBANKIN013494 | sinampic acid | ||||
| TCMBANKIN014360 | schizonol | 2-Cyclohexen-1-one, 2-(1-hydroxy-1-methylethyl)-5-methyl-, (5R)-; 35736-66-4; (5R)-2-(2-HYDROXYPROPAN-2-YL)-5-METHYLCYCLOHEX-2-EN-1-ONE; CTK1B6730; SNBPZAIQWQXUCR-SSDOTTSWSA-N; (5R)-5-Methyl-2-(1-hydroxy-1-methylethyl)-2-cyclohexene-1-one; Schizonol; DTXSID80453772; (-)-1R-8-Hydroxy-p-menth-4-en-3-one; 2-(1-Hydroxy-1-methylethyl)-5-methyl-2-cyclohexen-1-one # | C10H16O2 | 168.23 g/mol | CC1CC=C(C(=O)C1)C(C)(C)O |
| TCMBANKIN014618 | Campesteryl ferulate | campesteryl ferulate | C38H56O4 | 576.85 | CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C=CC5=CC(=C(C=C5)O)OC)C)C |
| TCMBANKIN015432 | Pentoxone | UN2293; ME 6 K; 4-Methoxy-4-methylpentan-2-one [UN2293] [Flammable liquid]; BRN 1747866; 4-Methyl-4-methoxy-2-pentanone; Pent-Oxone Solvent; 4-Methoxy-4-methylpentan-2-one; 4-Methoxy-4-methyl-2-pentanone; CCRIS 4840; WLN: 1OX1 & 1 & 1V1; 107-70-0; ZINC01679564; 4-01-00-04024 (Beilstein Handbook Reference); NSC 48083; EINECS 203-512-4; NSC48083; 4-methoxy-4-methyl-pentan-2-one; HSDB 1153; 2-Pentanone, 4-methoxy-4-methyl- | C7H14O2 | 130.18 | CC(=O)CC(C)(C)OC |
| TCMBANKIN015673 | 1,3-dimethylbutylbenzene | C12H18 | 162.27 | CC(C)CC(C)C1=CC=CC=C1 | |
| TCMBANKIN015787 | methyl 9,10-methylene-hexadecanoate | cycloprop-aneoctanoic acid,2-hexyl-methyl ester | 282.52 | ||
| TCMBANKIN016337 | N,N'-bis(3-aminopropyl)heptane-1,7-diamine | 119341-65-0; AIDS-121412; AIDS121412; 1,7-Heptanediamine, N,N'-bis(3-aminopropyl)-; 3-aminopropyl-[7-(3-aminopropylamino)heptyl]amine; 1,7-Heptanediamine, N, N'-bis(3-aminopropyl)-; MDL-26752 | C13H32N4 | 244.42 | C(CCCNCCCN)CCCNCCCN |
| TCMBANKIN016410 | Delphinidin-3-monoglucoside | delphinidin-3-monoglucoside | C21H21ClO12 | 500.8 g/mol | C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O.[Cl-] |
| TCMBANKIN017124 | 6""' -sinapoylspinosin | ||||
| TCMBANKIN017481 | Soyasaponin | soyasaponin | 927.26 | CC1C(CC(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CC(C5CCC6(C(C5(C4)C)CC=C7C6(CCC8(C7CC(CC8O)(C)C)C)C)C)(C)CO)C(=O)O)O)O)CO)O)O)O)O | |
| TCMBANKIN017692 | methyl isothiocyanate | AC1L1WRD; DB-052769; TR-037081; Morton EP-161E; AKOS000119315; Trapexide; C18587; Metile isotiocianato [Italian]; Methyl isothiocyanate, 97%; Isothiocyanate de methyle [ISO-French]; (Methylimino)(thioxo)methane #; Isothiocyanate, polymer-bound; Isotiocianato de metilo [Spanish]; isothiocyanato-methane; Isotiocianato de metilo; CTK3I9993; Trapex; 89441-92-9; Methylisothiocyanaat [Dutch]; Methyl-isothiocyanat [German]; UN2477; AB1001507; (methylimino)thioxo-Methane; DSSTox_CID_7204; NCGC00254816-01; RTR-037081; Caswell No. 573; 31447-EP2295418A1; Vorlex (Nor-Am); Methyl isothiocyanate, polymer-supported, 1.5-1.9 mmol/g on polystyrene; Methyl-isothiocyanat; Methyl isothiocyanate [UN2477] [Poison]; Methyl thioisocyanate; Methylisothiocyanaat [Netherlands]; EINECS 209-132-5; CHEBI:78337; Methane, isothiocyanato-; methylimino(sulfanylidene)methane; Methylisothiocyanate polystyrene; DSSTox_GSID_27204; methylisothiocynate; Degussa methyl isothiocyanate; Methylsenfoel [German]; STK802388; Methylisothiokyanat [Czech]; methane isothiocyanate; TRA0079765; A830741; 33404-EP2311830A1; S09-0105; ZINC8830539; MFCD00004818; C2H3NS; methylimino(thioxo)methane; Methylsenfoel; NCGC00259097-01; CH3NCS; Methylisothiocyanat; (methylimino)(thioxo)-methane; methyl isothio-cyanate; Isothiocyanic acid, methyl ester; Methylisothiocyanat [Denmark]; methane, (methylimino)thioxo-; RWE2M5YDW1; 556-61-6; MCULE-6174235995; FT-0627523; Tox21_300912; LGDSHSYDSCRFAB-UHFFFAOYSA-N; UN 2477; X5315; methylimino-sulfanylidenemethane; Isothiocyanatomethane; NCGC00090735-03; Isothiocyanate de methyle; BB_SC-5863; InChI=1/C2H3NS/c1-3-2-4/h1H; 33404-EP2292606A1; MolPort-000-872-008; SC-27104; Trapex-40; LS-90049; Methyl isothiocyanate 10 microg/mL in Cyclohexane; methylisothiocyanate; Isotiocianato di metile [Italian]; ANW-32358; (Methylimino)(thioxo)methane; UNII-RWE2M5YDW1; NCGC00090735-04; 31447-EP2308858A1; WN 12; AI3-28257; NCGC00090735-01; 31447-EP2311816A1; METHYL ISOTHIOCYANATE; I0189; HSDB 6396; MeNCS; Isotiocianato di metile; CAS-556-61-6; Vortex; Tropex; Isothiocyanatomethane, 9CI; Tox21_201548; NCGC00090735-05; 31447-EP2274983A1; 31447-EP2311817A1; Isothiocyanate de methyle [French]; ACMC-1AYLJ; EPA Pesticide Chemical Code 068103; Biomet 33; Methyl isothiocyanate, PESTANAL(R), analytical standard; Isothiocyanate, polymer-bound, 100-200 mesh, extent of labeling: 1.0-2.0 mmol/g loading, 1 % cross-linked with divinylbenzene; Methyl mustard; EP-161E; AC1Q7EUL; BBL011120; Mitc; Vorlex 201 (Nor-Am); Methylisothiokyanat; Metile isotiocianato; Methylisothiocyanaat; Methyl isothiocyanate [UN2477] [Poison]; Methyl mustard oil; EC 209-132-5; DSSTox_RID_78348; AN-45905; Isothiocyanic Acid Methyl Ester; isothiocyanatomethyl; Methyl-isothiocyanate; 33404-EP2311815A1; isothiocyanatomethan; CHEMBL396000; F0001-1461; KS-00000VYZ; DTXSID2027204; Methyl isothiocyanate [BSI:ISO]; MFCD03457480; NCGC00090735-02 | C2H3NS | 73.12 g/mol | CN=C=S |
| TCMBANKIN017715 | isopropyl isothiocyanate | I0520; 2253-73-8; Isothiocyanic Acid Isopropyl Ester; ACMC-1CMAC; M-3652; AS04387; RT-003649; AC1L2OE3; isopropyl isothiocya; EINECS 218-851-3; CJ-07112; Propane, 2-isothiocyanato-; ANW-24911; J-801001; BB_SC-1843; MCULE-7689456429; isopropyl isothiocyanate, 95+%; DTXSID60177045; AN-50620; ipncs; 2-Isothiocyanatopropane #; CTK3J7230; ZINC1841344; KSC497E3B; U797; KB-52826; MFCD00037830; 2-Isothiocyanatopropane; 2-isothiocyanato-propane; FEMA 4425; OTAVA-BB 1055627; LABOTEST-BB LTBB003773; VHBFEIBMZHEWSX-UHFFFAOYSA-N; SBB056455; Isopropyl isothiocyanate; CHEMBL2208211; PubChem16501; SC-27133; BP-12933; UNII-46561PKP9T; propan-2-isothiocyanate; KS-00000EQF; BDBM50096277; BG00599861; F0001-0793; MolPort-000-147-099; AKOS000101197; isopropylisothiocyanate; J-802232; isothiocyanato-2-propane; AB0019471; KS-00001PQM; PROPANE, 2-ISOTHIOCYANATO; iso-propylisothiocyanate; Isopropyl isothiocyanate, 97%; TRA0055038; FT-0627465; 46561PKP9T; InChI=1/C4H7NS/c1-4(2)5-3-6/h4H,1-2H; S14-0848; ASISCHEM A85471; SCHEMBL213474; Isopropyl mustard oil; AC1Q7EUN; ST51047329; J-670002; iso-propyl isothiocyanate; AS-17372; Propane,2-isothiocyanato-; BBL027932 | C4H7NS | 101.17 g/mol | CC(C)N=C=S |
| TCMBANKIN018095 | cycloartenone | Cycloartenone; CYCLOARTENONE; CHEMBL226084; 511-63-7 | C30H48O | 424.7 | CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C)C |
| TCMBANKIN018383 | (1,2-DIMETHYLPROPYL)BENZENE | C11H16 | 148.24 g/mol | CC(C)C(C)C1=CC=CC=C1 | |
| TCMBANKIN019367 | schizonodiol | Schizonodiol; (4S)-4-hydroxy-2-(2-hydroxypropan-2-yl)-5-methylcyclohex-2-en-1-one; AC1NT0A0 | C10H16O3 | 184.23 | CC1CC(=O)C(=CC1O)C(C)(C)O |
| 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 |
| TCMBANKIN020132 | 1- (arboxy-2 (3,4)dihydroxypheny) ethylbenzofuran | 1-(arboxy-2(3,4)dihydroxypheny)ethylbenzofuran | |||
| TCMBANKIN020338 | Soyasaponin A4 | soyasaponin a4; AC1O3E1D | C58H94O28 | 1239.35 | CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1O)OC6C(C(C(CO6)O)OC7C(C(C(CO7)O)O)O)O)C)C)C)(C)CO)OC8C(C(C(C(O8)C(=O)O)O)O)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(C(O1)CO)O)O)O)C)C |
| TCMBANKIN020363 | (3R,4S,4aR,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-2,2,4a,6a,6b,9,12a-heptamethyl-9-methylol-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,10-triol | (3R,4S,4aR,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,10-triol | C30H50O4 | 474.72 | |
| TCMBANKIN020705 | 2-isopropyl-5-methyl-hexyl-4-fork aldehyde | ||||
| TCMBANKIN020849 | Pramoxine | KBioGR_001547; Morpholine, 4-[3-(4-butoxyphenoxy)propyl]-; BPBio1_001025; NCGC00016529-01; Prestwick1_000716; Spectrum_001380; SPBio_002852; CHEBI:8357; KBio2_006996; Pramocaine; Prestwick2_000716; Prestwick0_000716; 140-65-8; 4-[3-(4-butoxyphenoxy)propyl]morpholine; p-Butoxyphenyl gamma-morpholinopropyl ether; CAS-637-58-1; SPBio_000099; Prestwick3_000716; KBio2_001860; proxazocain; Tronopthane; Pramocaina [INN-Spanish]; KBio3_001930; Spectrum5_001511; Spectrum3_000925; pramocainum; KBio2_004428; NINDS_000882; 4-(3-(p-Butoxyphenoxy)propyl)morpholine; BRN 0239059; Morpholine, 4-(3-(p-butoxyphenoxy)propyl)-; C07892; Spectrum4_001024; IDI1_000882; 4-27-00-00127 (Beilstein Handbook Reference); DivK1c_000882; Pramocainum [INN-Latin]; gamma-Morpholinopropyl 4-n-butoxyphenyl ether; Spectrum2_000030; EINECS 205-425-7; KBioSS_001860; BSPBio_000931; KBio1_000882 | C17H27NO3 | 293.4 | CCCCOC1=CC=C(C=C1)OCCCN2CCOCC2 |
| TCMBANKIN021034 | Squamatic acid | 4-[(3-carboxy-2-hydroxy-4-methoxy-6-methylphenyl)-oxomethoxy]-2-hydroxy-3,6-dimethylbenzoic acid; 569-36-8; CTK8J3847; SCHEMBL18621791; SMR001215956; MLS000563108; CHEMBL1730581; 4-(3-carboxy-2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-2-hydroxy-3,6-dimethylbenzoic acid; HMS2268C12; 2-Hydroxy-4-methoxy-6-methyl-1,3-benzenedicarboxylicacid1- ester; Squamatsaure; squamaticacid; 4-(3-carboxy-2-hydroxy-4-methoxy-6-methyl-benzoyl)oxy-2-hydroxy-3,6-dimethyl-benzoic acid; 4-(3-carboxy-2-hydroxy-4-methoxy-6-methyl-phenyl)carbonyloxy-2-hydroxy-3,6-dimethyl-benzoic acid; AC1NT0JM; squamatic acid | C19H18O9 | 390.34 | CC1=CC(=C(C(=C1C(=O)O)O)C)OC(=O)C2=C(C(=C(C=C2C)OC)C(=O)O)O |
| TCMBANKIN021528 | soyasapogenol b | Soyasapogenol B; (3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol; SMR001397335; C08980; 595-15-3; Olean-12-ene-3,22,23-triol, (3beta,4beta,22beta)-; NCGC00247505-01; HMS2267D19; MLS002473248; (3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4,6a,6b,8a,11,11,14b-heptamethyl-4-methylol-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol; CHEMBL153969 | C30H50O3 | 458.72 | CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)O)C)C |
| TCMBANKIN022385 | L-Folinic acid | L-Glutamic acid, N-(4-(((2-amino-5-formyl-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-, (S)-; (S)-Leucovorin; (6S)-Folinic acid; CHEBI:15640; (2S)-2-[[4-[[(6S)-2-amino-5-formyl-4-keto-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]glutaric acid; (6S)-5-Formyl-5,6,7,8-tetrahydrofolic acid; 121451-09-0; (2S)-2-[[4-[[(6S)-2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid; (6S)-5-formyltetrahydrofolate; 68538-85-2; [(6S)-5-formyl-5,6,7,8-tetrahydropteroyl]glutamate; L-Glutamic acid, N-(4-((((6S)-2-amino-5-formyl-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-; N-(5-formyl-5,6,7,8-tetrahydropteroyl)-L-glutamic acid; LFP 754; (2S)-2-[[4-[[(6S)-2-amino-5-methanoyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid; N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid; (2S)-2-[[[4-[[(6S)-2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]-oxomethyl]amino]pentanedioic acid; (6S)-5-HCO-H4folate; (6S)-Leucovorin | C20H23N7O7 | 473.44 | C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O |
| TCMBANKIN022431 | Palmitonitrile | 68002-64-2; NSC2137; NSC 2137; AI3-11234; Hexadecanenitrile; Nitriles, C16 and C18-unsatd.; Palmitic acid, nitrile; 1-Cyanopentadecane; Palmitonitrile (8CI); EINECS 211-110-5; 629-79-8 | C16H31N | 237.42 | CCCCCCCCCCCCCCCC#N |
| TCMBANKIN022438 | 3-Butynol | 927-74-2; 4-Hydroxy-1-butyne; 2-Hydroxyethylacetylene; NSC9708; ZINC01700120; buta-1,3-diyn-1-ol; 4-01-00-02219 (Beilstein Handbook Reference); InChI=1/C4H6O/c1-2-3-4-5/h1,5H,3-4H; BRN 0773710; But-3-yn-1-ol; 3-Butyne-1-ol; 130850_ALDRICH; 3-Butyn-1-ol; WLN: Q3UU1; AI3-25453; NSC 9708; 19195_FLUKA; 1-Butyn-4-ol; 3-Butynyl alcohol; EINECS 213-161-9; C06146 | C4H6O | 70.09 | C#CCCO |
| TCMBANKIN024026 | 2,2,4,9,11,11-hexamethyldodecane | C18H38 | 254.49 | CC(CCCCC(C)CC(C)(C)C)CC(C)(C)C | |
| TCMBANKIN024413 | Soyasaponin A6_qt | Soyasaponin A4_qt; Soyasaponin A5_qt | C58H94O28 | 1239.35 | |
| TCMBANKIN024508 | 4-phemyl-2-butanone | ||||
| TCMBANKIN025806 | Phenyl isothiocyanate | Phenyl isothiocyanate, reagent grade, 98%; Ylothane; PHENYL ISOTHIOCYANATE; CCRIS 3144; I0191; phenyl-isothiocyanate; iso-thiocyana-tobenaene; WLN: SCNR; RP20215; SC-25756; Jsp000376; ZB008168; AKOS000119287; PITC; PubChem18702; NSC5583; AM90356; Phenyl isothiocyanate, for HPLC derivatization, the detection of alcohols and amines, >=99.0%; TIMTEC-BB SBB040940; MCULE-4369838098; benzene, isothiocyanato; 30342-EP2311817A1; 71255-EP2295418A1; CAS-103-72-0; 30342-EP2311464A1; ST50214555; SCHEMBL20984; AKOS BBS-00004438; 30342-EP2311816A1; TRA0069149; InChI=1/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5; F2121-0322; Fenylisothiokyanat [Czech]; I01-1988; KS-00000V7I; phenyl isothio-cyanate; RTR-000864; 103-72-0; AI3-09310; DTXSID0021129; KSC492K1J; A800790; NSC-5583; KB-59552; phenyl isothiocynate; J-802269; CJ-02152; UNII-0D58F84LSU; AC1L1PAO; Phenyl isothiocyanate solution; MFCD00004798; Benzene,isothiocyanato-; AS04391; phenylisothiocynate; 4-12-00-00867 (Beilstein Handbook Reference); CHEMBL309036; Phenylsenfoel; QKFJKGMPGYROCL-UHFFFAOYSA-N; OTAVA-BB 1055672; Phenyl isothiocyanate, 97% 100g; phenyl isothiocyanate; BBL027476; TR-000864; EINECS 203-138-1; CHEBI:85103; 1-Isothiocyanatobenzene; BRN 0471392; isothiocyanato-benzen; Phenyl thioisocyanate; NCGC00258680-01; Fenylisothiokyanat; USAF M-4; J-801008; 71255-EP2308833A2; Phenyl isothiocyanate solution, 5% in heptane; R522; 30342-EP2308858A1; BDBM50073665; ZINC164500; Tox21_201128; isothiocynato benzene; Phenylisothiocyanate; STL281854; NCGC00248931-01; Phenyl mustard oil; EN300-17278; C7H5NS; DSSTox_RID_75960; Phenyl isothiocyanate, Sigma Grade, 8.36 M, suitable for solid phase protein sequencing analysis, >=99% (GC), liquid; Phenyl isothiocyanate, for protein sequence analysis, >=99.5% (GC); J-523934; CTK3J2514; AN-24653; MolPort-000-145-939; DSSTox_GSID_21129; EDMAN'S REAGENT; Phenyl isothiocyanate, 99%, for protein sequencing; ACMC-20ajx2; Isothiocyanato-benzene; phenyisothiocyanate; Isothiocynatobenzene; LS-7649; Isothiocyanic acid phenyl ester; Phenyl sothocyanate; 0D58F84LSU; FT-0627519; 30342-EP2284157A1; BB_SC-9412; Benzene-1-isothiocyanate; DSSTox_CID_1129; Phenylsenfoel [German]; AC1Q7EXY; SBB040940; Thiocarbanil; CS-B1640; AC1Q7EXX; Phenyl isothiocyanate solution, for protein sequence analysis, ~5% in heptane; NE10354; Benzene, isothiocyanato-; Isothiocyanatobenzene; NSC 5583; Isothiocyanic acid, phenyl ester | C7H5NS | 135.19 | C1=CC=C(C=C1)N=C=S |
| TCMBANKIN025905 | Proliferin | proliferin | C27H40O5 | 444.6 g/mol | CC1=CCCC(=CCC2(C(CC=C(C(CC1)O)C)C(=C(C2=O)O)C(C)COC(=O)C)C)C |
| TCMBANKIN026003 | Cyclopentenylpyrrolidine | 1-Pyrrolidino-1-cyclopentene; 1-(1-Pyrrolidinyl)cyclopentene; NSC29653; N-(Cyclopent-1-ene-1-yl)pyrrolidine; N-(1-Cyclopenten-1-yl)pyrrolidine; 1-Pyrrolidinocyclopentene; Pyrrolidine, 1-(1-cyclopenten-1-yl)-; 149446_ALDRICH; 1-(Cyclopent-1'-enyl)pyrrolidine; NSC 29653; 1-(1-Pyrrolidinyl)-1-cyclopentene; 1-(1-Pyrrolidino)cyclopentene; 1-(1-cyclopentenyl)pyrrolidine; 7148-07-4; EINECS 230-463-6; 1-(1-Cyclopenten-1-yl)pyrrolidine; 1-Cyclopentenylpyrrolidine | C9H15N | 137.22 g/mol | C1CCN(C1)C2=CCCC2 |
| TCMBANKIN026144 | methyl 3-octyl-epoxyethyloctanoate | 312.55 | |||
| TCMBANKIN026171 | Methyl cis-11-octadecenoate | Methyl (Z)-octadec-11-enoate; 11-Octadecenoic acid, methyl ester, (Z)-; 17264_FLUKA; cis-11-Octadecenoic acid methyl ester; (Z)-octadec-11-enoic acid methyl ester | C19H36O2 | 296.49 | CCCCCCC=CCCCCCCCCCC(=O)OC |
| TCMBANKIN026209 | Wild groundnut red | 449.42 | |||
| TCMBANKIN026372 | Syrionylglycerol-beta-syringaresinol_qt | 644.73 | |||
| TCMBANKIN026554 | 3-Butenyl isothiocyanate | 1-Butene, 4-isothiocyanato-; LS-86393; 4-isothiocyanatobut-1-ene; ZINC02556931; CHEMBL2251722; but-3-enylimino-thioxo-methane; AC1O5S8A; 3386-97-8; Butenylisothiocyanat; (1E)-1-ISOTHIOCYANATOBUT-1-ENE; Butenyl isothiocyanate; 3-butenyl isothiocyanate; EINECS 222-209-8; (E)-1-isothiocyanatobut-1-ene; Butenylisothiocyanate; Butenylisothiocyanat [German]; Isothiocyanic acid, butenyl ester | C5H7NS | 113.18 | CCC=CN=C=S |
| TCMBANKIN026717 | sparassol | methyl 4-methoxy-6-methyl-salicylate; Spectrum2_000404; UNII-49LGW9K0EH; CHEBI:92544; Spectrum5_001794; Sparassol; 520-43-4; Methyl 2-hydroxy-4-methoxy-6-methylbenzoate; PFVPJOAAHSOENR-UHFFFAOYSA-N; AKOS000278016; KBioGR_001562; Sparassol [MI]; SPECTRUM210924; Spectrum4_000951; BG01204997; SPBio_000328; 49LGW9K0EH; SCHEMBL950536; SR-05000002435; SDCCGMLS-0066908.P001; 2-hydroxy-4-methoxy-6-methylbenzoic acid methyl ester; Methyl everninate; CHEMBL1595401; METHYL EVERNINIC ACID; Methyl 2-hydroxy-4-methoxy-6-methylbenzoate #; 2-hydroxy-4-methoxy-6-methyl-benzoic acid methyl ester; KBio3_001208; Methyl 4-methoxy-6-methylsalicylate; AC1LC8Q4; Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, methyl ester; BSPBio_001708; CCG-38673; 2-Hydroxy-4-methoxy-6-methylbenzoic acid methyl ester; SR-05000002435-1; Spectrum3_000264; NCGC00095818-02; methyl 2-hydroxy-4-methoxy-6-methyl-benzoate; NCGC00095818-01; BRD-K31477169-001-01-3 | C10H12O4 | 196.2 g/mol | CC1=CC(=CC(=C1C(=O)OC)O)OC |
| TCMBANKIN028244 | Soyasaponin A5 | soyasaponin a5 | C52H84O23 | 1077.21 | CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1O)OC6C(C(C(CO6)O)OC7C(C(C(CO7)O)O)O)O)C)C)C)(C)CO)OC8C(C(C(C(O8)C(=O)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C |
| TCMBANKIN029374 | 1-(1-Methyl thiopropyl)-1-propenyl disulfide | AC1NSYM7; 1-methylsulfanyl-1-(prop-1-enyldisulfanyl)propane; 1-(1-methyl thiopropyl)-1-propenyl disulfide | C7H14S3 | 194.42 | CCC(SC)SSC=CC |
| TCMBANKIN030582 | 1-1-decylundecyl-undecahydronaphthalene | 431.9 | |||
| TCMBANKIN031290 | CRS | 3-methyl-1-hydroxybenzene; CPD-112; NCGC00159366-02; C85727_ALDRICH; W353000_ALDRICH; Metacresol; Rover's Dog Shampoo; m-Kresol [German]; CHEBI:17231; Metacresol [USAN]; WLN: QR C1; hydroxy-3-methylbenzene; m-Hydroxytoluene; m-cresylic; 65996_FLUKA; InChI=1/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H; c0282; meta-cresylic acid; Caswell No. 261A; ZINC00897141; NCGC00159366-03; meta-cresol; m-toluol; m-oxytoluene; Phenol, 3-methyl-; HSDB 1815; 3-methylphenol; AI3-00136; m-Cresol [UN2076] [Poison, Corrosive]; NCGC00159366-05; 1-Methyl-3-hydroxybenzene; EINECS 203-577-9; Cresol, m-; m-cresylic acid; NSC8768; Franklin Cresolis; AIDS017739; m-Cresol, compd. With p-cresol (2:1); Metacresol (USP); 3-hydroxytoluene; CRESOL, META; Cresol, m-isomer; m-Cresole; D04951; EPA Pesticide Chemical Code 022102; NCGC00159366-04; m-methylphenol; FEMA No. 3530; 108-39-4; TOLUENE,3-HYDROXY (META-CRESOL); Celcure Dry Mix (chemicals for wood preserving); C01467; 15831-10-4; m-kresol; AIDS-017739; CCRIS 645; NSC 8768; 3-cresol; m-cresol; 1-hydroxy-3-methylbenzene; 442391_SUPELCO | C7H8O | 108.14 | CC1=CC(=CC=C1)O |
| TCMBANKIN031346 | HXD | Dodecanoic acid, 3-hydroxy-, D-(-)- (8CI); (3R)-3-hydroxylauric acid; 3-OH-DODECANOATE; LMFA01050251; 3R-hydroxy-dodecanoic acid; D-(-)-3-Hydroxydodecanoic acid; (R)-3-hydroxylauric acid; Dodecanoic acid, 3-hydroxy-, (R)-; CHEBI:43197; D-3-Hydroxydodecanoic acid; (3R)-3-Hydroxydodecanoic acid | C12H24O3 | 216.32 g/mol | CCCCCCCCCC(CC(=O)O)O |
| TCMBANKIN031623 | 3-Methylthiophene-2-carbonitrile | 55406-13-8; ZINC02510165; 3-Methyl-2-thiophenecarbonitrile | C6H5NS | 123.18 | CC1=C(SC=C1)C#N |
| TCMBANKIN032254 | (2S)-2,3-dihydroxypropanoic acid | C3H6O4 | 106.08 | C(C(C(=O)O)O)O | |
| TCMBANKIN033588 | Methyl octadeca-8,11-dienoate | methyl octadeca-8,11-dienoate; Methyl (8E,11E)-8,11-octadecadienoate; methyl (8E,11E)-octadeca-8,11-dienoate; 8,11-Octadecadienoic acid, methyl ester; (8E,11E)-octadeca-8,11-dienoic acid methyl ester | C19H34O2 | 294.47 | CCCCCCC=CCC=CCCCCCCC(=O)OC |
| TCMBANKIN033822 | rosmarinic acid mono-me-ester | ||||
| TCMBANKIN034340 | HPN | Heptamide; Heptanamide; Enanthamide; NSC3819; Enanthic acid amide; 628-62-6 | C7H15NO | 129.2 | CCCCCCC(=O)N |
| TCMBANKIN034347 | SBB008790 | 65686-49-9; 11-Hexadecyn-1-ol; hexadec-11-yn-1-ol; ZINC02555306 | C16H30O | 238.41 | CCCCC#CCCCCCCCCCCO |
| TCMBANKIN034541 | (S)-bupropion | NCGC00016807-01; Lopac-B-102; CAS-31677-93-7; NCGC00015122-01; CHEBI:36793; (2S)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one | C13H18ClNO | 239.74 | CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C |
| TCMBANKIN034632 | amylum | ARGO brand corn starch; Food starch, unmodified; Maranta; Clearjel; Amylum; W-13 Stabilizer; Claro 5591; Starch, unmodified; Starch, pregelatinized; Starken; Rice starch; Farinex 100; Aquapel (polysaccharide); Penford Gum 380; Sta-RX 1500; Sorghum gum; Starch, wheat; Trogum; EINECS 232-679-6; Remyline Ac; LS-54975; Starch, corn; Amylomaize VII; Sago starch; Food starch; Meluna; Starch mucilage; Melojel; Maizena; Tapon; Wheat starch, unmodified; Starch [USAN]; W-Gum; Starch dust; CPC 6448; Cornstarch; Amyla; Genvis; Arrowroot starch; Corn starch; Starch, converted; Starch, rice; Starch, potato; Staramic 747; HRW 13; CPC 3005; Galactasol A; OK PRE-GEL; Keestar; Tapioca starch; Amaizo W 13; Wheat starch | C27H48O20 | 692.7 g/mol | CC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)OC)O)O)OC4C(C(C(C(O4)CO)OC)O)O)O)O)O)O |
| TCMBANKIN035068 | methyl 12-oxooctadec-9-enoate | 21308-79-2; CCRIS 676; (E)-12-ketooctadec-9-enoic acid methyl ester; Methyl-12-oxo-trans-10-octadecenoate; Methyl 12-oxo-trans-10-octadecenoate; (E)-12-Oxo-10-octadecenoic acid, methyl ester; 12-ketooctadec-9-enoic acid methyl ester; (E)-12-oxooctadec-9-enoic acid methyl ester; trans-10-OCTADECENOIC ACID, 12-OXO-, METHYL ESTER; 4-03-00-01757 (Beilstein Handbook Reference); BRN 1713195; 12-oxooctadec-9-enoic acid methyl ester; methyl (E)-12-oxooctadec-9-enoate | C19H34O3 | 310.47 | CCCCCCC(=O)CC=CCCCCCCCC(=O)OC |
| TCMBANKIN035599 | sec-butyl isothiocyanate | UNII-126JI237AW component TUFJIDJGIQOYFY-RXMQYKEDSA-N; ZINC167189; (2R)-2-isothiocyanatobutane; AC1NUCKH; A826523; [R,(?)]-2-Isothiocyanatobutane; ZB008778 | C5H9NS | 115.2 g/mol | CCC(C)N=C=S |
| TCMBANKIN036294 | 11-Phenoxyundecanoic acid | NSC408534; SBB012492; 7170-44-7; AIDS057872; AIDS-057872; 11-(phenoxy)undecanoic acid; EINECS 230-520-5; Undecanoic acid, 11-phenoxy-; 160792_ALDRICH | C17H26O3 | 278.4 g/mol | C1=CC=C(C=C1)OCCCCCCCCCCC(=O)O |
| TCMBANKIN036696 | Soyasaponin A3_qt | Soyasaponin A2_qt | C53H86O24 | 1107.24 | |
| TCMBANKIN036790 | rosmarinic acid | (2R)-3-(3,4-dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)acryloyl]oxy-propionic acid; 537-15-5 (ROSMARINATE); (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]propanoic acid; AIDS-026336; Rosmarimic acid; C10489; ACon1_001068; SMR000445579; 536954_ALDRICH; Benzenepropanoic acid, .alpha.-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-3,4-dihydroxy-, (.alpha.R)-; 20283-92-5 (FREE ACID); (R)-O-(3,4-Dihydroxycinnamoyl)-3-(3,4- dihydroxyphenyl)lactic acid; 20283-92-5; (2R)-3-(3,4-dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]propanoic acid; MEGxp0_000163; (2R)-3-(3,4-dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid; MLS000697677; 2-[(E)-3-(3,4-dihydroxycyclohexa-1,5-dien-1-yl)-1-hydroxy-allyloxy]-3-(3,4-dihydroxyphenyl)propanoic acid; (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-propanoic acid; SMP1_000245; AIDS026336; 3,4-Dihydroxycinnamic acid (R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl ester; Benzenepropanoic acid, .alpha.-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-3,4-dihydroxy-, (R-(E))-; (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-propionic acid; (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid; Rosmarinic acid | C18H16O8 | 360.315 | c1([H])c([H])c(\C([H])=C([H])\C(=O)O[C@]([H])(C(O[H])=O)C([H])([H])c2c([H])c(O[H])c(O[H])c([H])c2[H])c([H])c(O[H])c1O[H] |
| TCMBANKIN036832 | daidzein | 486-66-8; AIDS-059333; ST057515; KBio2_005871; CCRIS 7600; 7-Hydroxy-3-(4-hydroxy- phenyl)- chromone; SPBio_000205; AIDS059333; 4′,7-Dihydroxy- iso- flavone; nchembio.2007.28-comp31; KBio2_003303; Spectrum3_000191; Isoflavone, 4',7-dihydroxy- (8CI); Oprea1_182317; 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one; Spectrum5_000857; NCGC00025156-01; BiomolKI_000060; S00273; NCGC00015365-01; KBio1_001023; BiomolKI2_000066; KBioSS_000735; Daidzeol; SMP1_000089; 7,4'-Dihydroxyisoflavone; 7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone; C10208; SPECTRUM200789; nchembio.76-comp16; BSPBio_001741; NCGC00025156-09; Daidzein (6CI); 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-; BRN 0231523; 5-18-04-00089 (Beilstein Handbook Reference); Daidzein; Daidzein (4',7-Dihydroxyisoflavone); KBioGR_002432; NINDS_001023; KBio2_000735; ACon1_000543; NCGC00025156-07; ZINC00047551; daidzein ; NCGC00025156-02; Lopac-D-7802; Tocris-1417; 7-hydroxy-3-(4-hydroxyphenyl)chromone; ACon0_001477; 7-Hydroxy-3-(4-hydroxy-phenyl)-chromone; KBio3_001241; DivK1c_001023; Spectrum4_001964; K 251b; UPCMLD-DP052:001; IDI1_001023; MEGxm0_000123; Lopac0_000412; D7802_SIGMA; Spectrum2_000053; EINECS 207-635-4; Spectrum_000255; 4′,7-Dihydroxyisoflavone; NCGC00025156-05; 4',7-Dihydroxy-iso-flavone; NCGC00025156-04; 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one; 7-Hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; 7-hydroxy-3-(4-hydroxyphenyl)-4-chromenone; 7-Hydroxy-3-(4-hydroxy- phenyl)-4H-1-benzo- pyran-4-one; EU-0100412; CHEBI:28197; SDCCGMLS-0066422.P001; 4',7-Dihydroxyisoflavone; Oprea1_305345 | C15H10O4 | 254.238 | c1([H])c(C(=O)C(c2c([H])c([H])c(O[H])c([H])c2[H])=C([H])O3)c3c([H])c(O[H])c1[H] |
| TCMBANKIN036863 | hesperidin | Hesperetin 7-O-rutinoside; Flavanone, 3',5,7-trihydroxy-4'-methoxy-, 7-(6-O-alpha-L-rhamnosyl-delta-glucoside) (7CI); (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]-4-chromanone; 15512-51-3; Hesperitin-7-rhamnoglucoside; (2S)-5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxymethyl]oxan-2-yl]oxy-chroman-4-one; Hesperetin-rutinosid; 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-((6-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl)oxy)-4-chromanon; 520-26-3; CHEBI:28775; (S)-7-[[6-O-(6-Deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one; (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychroman-4-one; 5-18-05-00218 (Beilstein Handbook Reference); hesperidin ; BSPBio_000619; Hesperidin; BRN 0075140; Atripliside B; 7-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one, (S)-; D01038; BCBcMAP01_000136; 3',5'-Dihydroxy-4'-methoxy-7-rutinosyloxyflavan-4-on; 7-(6-O-Desoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromanon; (2S)-5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chroman-4-one; CCRIS 3940; Flavanone, 3',5,7-trihydroxy-4'-methoxy-, 7-(6-O-a-L-rhamnosyl-D-glucoside) (7CI); Glucopyranoside, hesperetin-7 6-O-(6-deoxy-alpha-L-mannopyranosyl)-, beta-D-; NSC 44184; (S)-(--)-hesperidin; (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside; Prestwick3_000400; 106904-63-6; 28283-75-2; Hesperidine; C09755; AIDS-001414; 16643-24-6; SMP1_000149; Ciratin; Hesperetin, 7-(6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside); Hesperidin (JAN); 17654-22-7; 32737-61-4; 4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydo-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)-; Hesperetin-rutinoside; EINECS 208-288-1; STOCK1N-12322; AIDS001414; BPBio1_000681; 30927-97-0; Hesper bitabs; 4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (2S)-; (2S)-Hesperidin | C28H34O15 | 611 | C([H])([H])([H])[C@]1([H])O[C@@]([H])(OC([H])([H])[C@]2([H])O[C@]([H])(Oc3c([H])c(O[C@@]([H])(c4c([H])c([H])c(OC([H])([H])[H])c(O[H])c4[H])C([H])([H])C5=O)c5c(O[H])c3[H])[C@@]([H])(O[H])[C@]([H])(O[H] )[C@@]2([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H] |
| TCMBANKIN036881 | delphinidin | delphinidin ; delfinidin; delphinidin-3-glu-coside_qt; Anthocyanin; Delphinidin-3-monoglucoside_qt; 3-O-β-(6-O-malonyl)-D-glucopyranoside_qt | C15H11O7+ | 303.24 g/mol | C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O |
| TCMBANKIN037423 | Butyl isthiocyanate | butyl isthiocyanate | 129.25 | ||
| TCMBANKIN037459 | N-(p-Hydroxyphenethyl) actinidine | n-(p-hydroxyphenethyl)actinidine | C18H22NO | 268.4 g/mol | C1(C([H])([H])[H])=C([H])N(C([H])([H])C([H])([H])c2c([H])c([H])c(O[H])c([H])c2[H])=C([H])C3=C1C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[H] |
| TCMBANKIN037813 | genistein | BSPBio_002375; Lopac-G-6649; NCGC00015479-02; K00046; Genisteol; Spectrum_000320; NCGC00025005-01; Sophoricol; KBio2_003368; 4,6,7-Trihydroxyisoflavone; SMR000112580; SIPI 807-1; KBio2_007700; 5,7,4'-Trihydroxyisoflavone; Spectrum4_001543; GEN; NCGC00025005-04; Lopac0_000520; AIDS097204; 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone; 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one; Spectrum5_000106; Bio1_001423; NCGC00025005-05; NSC 36586; NCGC00025005-02; 4′,5,7-Trihydroxyisoflavone; Differenol A; NPI 031L; ACon1_001065; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-; Bio1_000934; NCI60_003369; UPCMLD-DP096:001; NCGC00015479-01; genistein ; Spectrum2_000638; KBio2_002564; nchembio.76-comp6; G6776_SIGMA; DivK1c_006401; 5-18-04-00594 (Beilstein Handbook Reference); cMAP_000086; EU-0100520; 5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate; Tocris-1110; CHEBI:74224; KBioGR_002006; Bio1_000445; BRN 0263823; 446-72-0; MEGxp0_000568; Oprea1_437815; SMP1_000133; KBio1_001345; 5,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-4H-1-BENZOPYRAN-4-ONE; Lactoferrin-genistein; SPECTRUM210296; 4',5, 7-trihydroxyisoflavone; NSC36586; EINECS 207-174-9; CHEBI:28088; Oprea1_224620; AIDS-097204; 4',5,7-Trihydroxyisoflavone; C06563; KBio3_003042; SPBio_000636; genistein(1-); KBio2_000800; 4′,5,7-Trihydroxyisoflavone; G6649_SIGMA; Prunetol; KBioGR_002564; C.I. 75610; KBioSS_000800; Genistein; TNP00151; CCRIS 7675; MolMap_000022; KBio2_005132; KBio3_001595; ZINC00041692; AIDS016499; ST056352; SpecPlus_000305; Isoflavone, 4',5,7-trihydroxy-; 4',5,7-Trihydroxy isoflavone; STO514; 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one; KBioSS_002573; KBio2_005936; Genistein; 4',5,7-Trihydroxyisoflavone; Spectrum3_000678; PTI G4660; AIDS-016499; nchembio.2007.28-comp32; Genisterin; NCGC00025005-07; MLS000738127 | C15H10O5 | 270.24 | C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O |
| TCMBANKIN037869 | Genistein 8-C-glucoside | 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromenone; 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone; C10420; SCHEMBL4743882; 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one; 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one; 66026-80-0; LMPK12050163; genistein 8-c-glucoside | C21H20O10 | 432.38 | C1=CC(=CC=C1C2=COC3=C(C2=O)C(=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O)O |
| TCMBANKIN039331 | Syrionylglycerol-beta-syringaresinol | syrionylglycerol-beta-syringaresinol | C45H60O23 | 969.05 | [C@]1([H])(O[H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])O[H])O[C@]([H])(Oc2c(OC([H])([H])[H])c([H])c([C@]3([H])[C@@]([H])(C([H])([H])O[C@@]4([H])c5c([H])c(OC([H])([H])[H])c(O[C@]([H])([C@@]([H])(O[H])c6c ([H])c(OC([H])([H])[H])c(O[C@@]7([H])O[C@@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]7([H])O[H])c(OC([H])([H])[H])c6[H])C([H])([H])O[H])c(OC([H])([H])[H])c5[H])[C@]4([H])C([H])([H])O3)c ([H])c2OC([H])([H])[H])[C@@]1([H])O[H] |
| TCMBANKIN040555 | genkdaphin | (1R,3aS,4R,6aR)-1,4-bis(1,3-benzodioxol-5-yl)-3,3a,4,6a-tetrahydro-1H-furo[3,4-c]furan-6-one; Genkdaphin | C20H16O7 | 368.337 | C1C2C(C(O1)C3=CC4=C(C=C3)OCO4)C(=O)OC2C5=C6C(=CC=C5)OCO6 |
| TCMBANKIN041272 | stearic acid | 4-02-00-01206 (Beilstein Handbook Reference); AIDS-049230; Emersol 871; 8039-52-9; 126539-56-8; stearic acid, ion(1-); D00119; octadecoic acid; Hydrofol Acid 150 (VAN); 134503-33-6; Fatty acids C16-18; 68937-76-8; Kam 2000; VLZ 200; Lunac S 98; Glycon S-80; Hy-phi 1205; Lunac YA; Pristerene 9429; Pristerene 4900; Octadecanoic acid (9CI); Hystrene 9718NF; Edenor FHTI; Cetylacetic acid; NAA 173; NSC 25956; Lunac S 90; S 30C S 30C (fatty acid); Neo-Fat 18-61; Dar-chem 14; NSC25956; Edenor HT-JG 60; Octadecanoate; 57485-56-0; Oktadekansaeure; S 300 (fatty acid); Unister NAA 180; Industrene 5016; Prisorine 3508; Hydrofol Acid 150; Hystrene 4516; G 270; Stearic Acid Cherry; Century 1230; 822-16-2 (SODIUM SALT); NCGC00091596-02; Glycon S-90; 85404-83-7; NCGC00091596-01; Stearic acid (JP15/NF); Hystrene 5016; Hy-phi 1303; Glycon S-70; C01530; Octadecansaeure; Neo-Fat 18-55; WO 2 (fatty acid); Pristerene 9559; SA 200; Century 1240; Stearic acid, pure; Sunfat 18S; WO 2; CHEBI:28842; Industrene 5016K; LS-2392; Kam 3000; BRN 0608585; Edenor ST 20; AIDS049230; Lunac 30; EINECS 273-087-8; Emersol 150; 175366_SIAL; 8039-54-1; Fatty acids, C16-20; stearicacid; Stearic acid ion(1-)salt; Stearic acid (8CI); Stearinsaeure; Emersol 153NF; Hydrofol acid 1855; 57-11-4; Lunac S 30; Hystrene T 70; Prisorine 3501; Haimaric MKH(R); Stearex Beads; Groco 55; Hystrene S-97; Neo-Fat 18-54; W303518_ALDRICH; Hydrofol acid 1655; Nonsoul SN 1 (*Sodium salt*); EINECS 200-313-4; 39390-61-9; Emersol 120; EPA Pesticide Chemical Code 079082; Lunac S 20; Octadecanoic acid, ion(1-); 8013-28-3; AI3-00909; Kortacid 1895; FEMA No. 3035; Hystrene S 97; 82497-27-6; Tegostearic 254; SNA-2000 (*Sodium salt*); 1-Heptadecanecarboxylic acid; AC1MHWEJ; STL280244; 27405_RIEDEL; Steric acid; Industrene 9018; Glycon dp; F 3 (lubricant); Hy-phi 1401; Lunac S 50; Emersol 132; Stearic acid, ion(1-) (8CI); CH3-[CH2]16-COO(-); acide octadecanoique; Groco 55l; 73297_FLUKA; Serfax MT 90; Stearic acid [USAN:JAN]; 8039-51-8; acide stearique; Kam 1000; Acidum stearinicul; InChI=1/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20; 8039-53-0; 17FA; Stearophanic acid; 8037-83-0; Hystrene 7018; FA 1655; Prisorine 3502; Nonsoul SK 1; Hydrofol Acid 1895; Lunac S 40; Stearic acid 50; 8023-06-1; 85679_FLUKA; HSDB 2000; n-Octadecanoate; 400JB9103-88; Glycon tp; Unimac 5680; Loxiol G 20; Stearate; 875D; Octadecanoic acid; Neo-Fat 18-53; octadecanoate (n-C18:0); Radiacid 0427; Emery 871; Vanicol; Vis-Plus; PD 185; EINECS 250-178-0; AKOS022105769; 646-29-7; Edenor ST 1; S 300; Caswell No. 801D; Selosol 920; Tegostearic 272; Isostearic acid EX; A 1760; WLN: QV17; Stearic acid (TN); Pearl stearic; 609343-71-7; Palmitic acid - stearic acid mixture; Emersol 875; Industrene 8718; Hystrene 9718NFFG; NCGC00164255-02; ST023799; LMFA01010018; Groco 54; Edenor C18; Hystrene T-70; Hy-phi 1199; CTK8J8420; n-Octadecanoic acid; Groco 58; Pristerene 4963; Formula 300; AFCO-Chem B 65; CCRIS 2305; Industrene R; Century 1220; S4751_SIGMA; Neo-Fat 18; 58392-66-8; Barolub FTA; Hystrene 9718; CH3-[CH2]16-COOH; STE; 8037-40-9; 30399-84-9; Lunac S 90KC; Hydrofol 1895; Emery 875D; Century 1210; QIQXTHQIDYTFRH-UHFFFAOYSA-M; Neo-Fat 18-59; LS-1388; Groco 59; Humko Industrene R; Hystrene 80; Adeka Fatty Acid SA 910; Stearic acid; Prifac 2918; Emersol 6349; Edenor C 18/98; 3uex; LS-97707; CHEBI:25629; Neo-Fat 18-S; Stearic acid - palmitic acid mixture; Tegostearic 255; C-Lube 10 | C18H36O2 | 284 | C([H])([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])= O |
| TCMBANKIN041659 | genistin | 4′,5,7-Trihydroxyisoflavone 7-glucoside; ACon1_001495; Genistein-7-O-beta-D-glucopyranoside; genistein 7-O-beta-D-glucopyranoside; 4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-; 5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; CHEBI:27514; 5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; genistein 7-O-glucoside; SCHEMBL241743; 4',5,7-trihydroxyisoflavone 7-D-glucoside; 5-hydroxy-3-(4-hydroxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; G0897_SIGMA; genistin ; Genistein, 7-beta-D-glucopyranoside; NSC 5112; Genistin; 529-59-9; 5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; 4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)- (9CI); Genistein, 7-O-beta-D-glucoside; Genistin (8CI); 5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; 5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside; BRN 0064479; LMPK12050166; C09126; 4-18-00-02732 (Beilstein Handbook Reference); Glucopyranoside, genistein-7, beta-D-; Prevention 10 (soy isoflavone concentrate); Genistine; MEGxp0_000436; 48756_FLUKA; NCGC00163559-01; Genistein 7-O-beta-D-glucoside | C21H20O10 | 432.38 | C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O |
| TCMBANKIN041940 | gluconasturtiin | GNST; 2-phenylethyl-glucosinolate | C15H21NO9S2 | 423.5 g/mol | C1=CC=C(C=C1)CCC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O |
| TCMBANKIN042688 | N-Phenyl-2-naphthalene amine | 2-phenyl-isoquinoline; AC1NSZLC; SCHEMBL1553150; SCXBFXGVOQYURB-UHFFFAOYSA-N; 2-phenylisoquinoline; 2-phenyl-1H-isoquinoline; 2-Phenyl-1,2-dihydroisoquinoline | C15H13N | 207.27 | c1([H])c([H])c(C([H])([H])N(c2c([H])c([H])c([H])c([H])c2[H])C([H])=C3[H])c3c([H])c1[H] |
| TCMBANKIN042839 | Darutoside | stigmasterol-beta-D-glucoside; Stigmasterol-beta-D-glucoside_qt; stigmasterol 3-O-beta-D-glucoside | C26H44O8 | 485 | C1([H])([H])C([H])([H])[C@@](C([H])([H])[H])([C@@]2([H])C(=C([H])[C@]([C@]([H])(C([H])([H])O[H])O[H])(C([H])([H])[H])C([H])([H])C2([H])[H])C([H])([H])C3([H])[H])[C@@]3([H])C(C([H])([H])[H])(C([H])([H] )[H])[C@]1([H])O[C@@]4([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H] |
| TCMBANKIN042858 | Luteolin | Prestwick3_000870; TNP00073; 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate luteolin-7-olate(1-); 62696_FLUKA; ACon1_000223; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-chromenone; Digitoflavone; SMR000326896; luteolin-7-olate anion; 4H-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-; CHEBI:57545; FLAVONE, 3',4',5,7-TETRAHYDROXY-; 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-benzopyrone; A827664; BPBio1_001011; MEGxp0_000143; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy- (9CI); Weld Lake; BSPBio_000919; CHEBI:15864; 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one; Oprea1_849964; Yama kariyasu; 4-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-oxidanyl-phenolate; ST024703; luteolin ; NCGC00016467-02; EINECS 207-741-0; AIDS001406; NCGC00142375-02; C.I. Natural Yellow 2; S00110; Luteoline; Luteolin; Luteolol; 3′,4′,5,7-Tetrahydroxyflavone; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-; Prestwick_122; 5,7,3',4'-Tetrahydroxyflavone; BRN 0292084; CAS-491-70-3; 4-(5,7-dihydroxy-4-oxo-1-benzopyran-2-yl)-2-hydroxyphenolate; ZINC00008613; NCGC00142375-01; Prestwick1_000870; AIDS-001406; C01514; CCRIS 3790; 3',4',5,7-Tetrahydroxyflavone; Flacitran; Cyanidenon 1470; MLS000697655; SPBio_002840; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one; Lopac0_000660; NCGC00016467-01; C.I. 75590; Prestwick0_000870; 491-70-3; 2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-oxylato-4H-1-benzopyran-4-one; 5-18-05-00296 (Beilstein Handbook Reference); Prestwick2_000870; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one; L9283_SIGMA; 3′,4′,5,7-Tetrahydroxyflavone; SMP2_000042; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromone | C15H10O6 | 286.236 | c1(O[H])c([H])c(OC(c2c([H])c([H])c(O[H])c(O[H])c2[H])=C([H])C3=O)c3c(O[H])c1[H] |
| TCMBANKIN043473 | daidzin | Daidzin; 1329-08-4; Daidzoside; 3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; 30408_FLUKA; MEGxp0_000530; C10216; LMPK12050013; Daidzein-7-O-beta-D-glucopyranoside; 7-(beta-D-Glucopyranosyloxy)-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; NCGC00163532-01; BRN 0059741; 3-(4-hydroxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; SCHEMBL14477668; 3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; Daidzein 7-glucoside; 552-66-9; 7-O-B-D-GLUCOPYRANOSIDE; CHEBI:42202; daidzein 7-O-beta-D-glucoside; 4-18-00-01808 (Beilstein Handbook Reference); Daidzein-7-glucoside; 28572-56-7; 3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; ACon1_002092; nchembio.2007.28-comp34; 3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; 7-(beta-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-4H-chromen-4-one; DZN; daidzin ; Daidzein 7-O-glucoside | C21H20O9 | 416.378 | C1([H])=C(c2c([H])c([H])c(O[H])c([H])c2[H])C(c3c(O1)c([H])c(O[C@]([H])(O[C@]4([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]4([H])O[H])c([H])c3[H])=O |
| TCMBANKIN043933 | progoitrin | R-2-Hydroxy-3-butenyl glucosinolate | C11H19NO10S2 | 389.399 | O1[C@@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])S\C(\C([H])([H])[C@]([H])(O[H])C([H])=C([H])[H])=N/OS(O)(=O)=O |
| TCMBANKIN045922 | indole | Benzopyrrole; Indol; W259306_ALDRICH; ZINC00895236; INDOLE BENZO-PYRROLE; 783272-65-1; 1H-Indole (9CI); 1H-Indole-1-cation; Benzo[b]pyrrole; 2,3-Benzopyrrole; 2,3-Benzopyrole; NSC 1964; CHEBI:16881; Indole (natural); 1H-Benzo[b]pyrrole; CCRIS 4421; InChI=1/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9; KB-274206; 1H-indol-1-ium; 1H-Indol-1-iumyl; 269077_ALDRICH; NSC1964; 1-Azaindene; SB 00587; 442619_SUPELCO; Ketole; SIKJAQJRHWYJAI-UHFFFAOYSA-O; AC1NC5DJ; INDOLE; AI3-01540; Indol [German]; 57190_FLUKA; 1-Benzo(b)pyrrole; LS-2832; WLN: T56 BMJ; IND; Caswell No. 498B; EINECS 204-420-7; 1-Benzazole; 1H-Indole; EPA Pesticide Chemical Code 025000; FEMA No. 2593; HSDB 599; 120-72-9; Indole (8CI); C00463; I3408_ALDRICH; indolium | C8H7N | 117.148 | n1([H])c(c([H])c([H])c([H])c2[H])c2c([H])c1[H] |
| TCMBANKIN045930 | Sinapine | 18696-26-9; AK676101; ZINC1532786; C00933; Ethanaminium, 2-((3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl)oxy)-N,N,N-trimethyl-; 2-((3-(4-Hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl)oxy)-N,N,N-trimethylethanaminium; AC1Q65Q4; Sinapine bisulphate; sinapic acid choline ester; 09211A0HHL; ACon1_000255; 2-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]-N,N,N-trimethylethanaminium; UNII-09211A0HHL; MCULE-2468175287; Q-100224; O-sinapoylcholine; CHEBI:16353; AC1NQWZ5; 2-((3-(4-Hydroxy-3,5-dimethoxyphenyl)acryloyl)oxy)-N,N,N-trimethylethanaminium; BRD-K21295184-064-01-0; 2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxyethyl-trimethylazanium; 4-Hydroxy-3,5-dimethoxycinnamate choline; BG01022959; MEGxp0_001763; AKOS030626997; C16H24NO5; DTXSID10171957; Sinapoylcholine; Ethanaminium,2-[[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]oxy]-N,N,N-trimethyl-; Sinapine; 8262AH; sinapoylcholine; sina-pine; 2-(4-hydroxy-3,5-dimethoxycinnamoyloxy)-N,N,N-trimethylethanaminium; MolPort-019-904-083 | C17H25N2O5S | 370 | O(C(=O)\C([H])=C([H])\c1c([H])c(OC([H])([H])[H])c(O[H])c(OC([H])([H])[H])c1[H])C([H])([H])C([H])([H])N(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H].N#CS |
| TCMBANKIN047195 | 3,6,7-Trimethoxyphenanthroindolizidine | 363.4 g/mol | |||
| TCMBANKIN047723 | sinalbin | sinalbin ; 4-hydroxybenzyl-Glucosinolate | C14H19NO10S2 | 425.4 g/mol | C1=CC(=CC=C1CC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O)O |
| TCMBANKIN057920 | (Z)- aconitic acid | cis-aconitic acid;cis-1-propene-1,2,3-tricarboxylic acid; ST5308041; cis-Propene-1,2,3-tricarboxylic acid; (1Z)-prop-1-ene-1,2,3-tricarboxylic acid; Propene-1,2,3-tricarboxylic acid; 1-Propene-1,2,3-tricarboxylic acid, (Z)- (8CI)(9CI); 3-Carboxy-2-pentenedioic acid; (Z)-1-Propene-1,2,3-tricarboxylic acid; NSC 7616; 1,2,3-Propenetricarboxylic acid; CHEBI:32805; A3412_SIGMA; 1,2,3-PROPENETRICARBOXYLIC ACID,(TRANS); CCRIS 2507; HSDB 635; AI3-14615; 01590_FLUKA; EINECS 207-877-0; EINECS 209-564-4; (Z)-prop-1-ene-1,2,3-tricarboxylic acid; 3-Carboxyglutaconic acid; NSC 227901; NCI7616; InChI=1/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1; FEMA No. 2010; C00417; 1-Propene-1,2,3-tricarboxylic acid, (1Z)-;ACONITATE, CIS | C6H6O6 | 174.11 g/mol | C(C(=CC(=O)O)C(=O)O)C(=O)O |
| TCMBANKIN058038 | allylglucosinolate | SINIGRIN_qt | C10H16KNO9S2 | 397.5 g/mol | C=CCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O.[K+] |
| TCMBANKIN058046 | allyl isothiocyanate | Redskin; DTXSID3020047; Fats and Glyceridic oils, mustard; 3ZT10W4376; (T)ALLYL ISOTHIOCYANATE; Allyl isothiocyanate, PESTANAL(R), analytical standard, stabilized; Artificial oil of mustard; NSC 5572; Allyspol 75EC; Tox21_111165; ol eum sinapis volatile; Allylsenfoel; BBL027483; Allyl sevenolum; Senf oel; Tox21_202249; Mustard, brown (Brassica spp.); EINECS 232-358-0; EPA Pesticide Chemical Code 004901; DSSTox_CID_47; Allyl isothiocyanate, contains BHT as stabilizer, 95%; Oleum sinapis; 1058737-73-7; WLN: SCN2U1; Mustard oil, volatile; Mustard oil (VAN); AC1L1LIX; Isothiocyanic acid allyl ester; Essential oils, mustard; BN34FX42G3; Oil Of mustard; Allyl isothiocyanate, stabilized; Allyl isosulphocyanate; Mustardseed Oil; Tox21_302890; BP-12926; MFCD00004822; HMS3264D06; D02818; NSC760137; CHEMBL233248; FEMA No. 2034; 8007-40-7; Allyl isothiocyanate [USAN]; CTK1G9557; ZINC1687017; 50978-48-8; allylisothiocyanate; Brassica seed oil; 1957/6/7; Oil of mustard, expressed; ST51046777; CCG-213613; SBB060631; Allylisothiokyanat [Czech]; CCRIS 20; NCGC00091743-01; NCGC00256536-01; Allylsevenolum; Oils, brassica nigra; Allyl thioisocyanate; DSSTox_RID_75336; 3-isothiocyanatopropene; BDBM50203072; RL04154; NCGC00091743-02; 2-Propenyl isothiocyanate; UNII-BN34FX42G3; Caswell No. 027; Allyl mustard oil; CHEBI:73224; Allyl isothiocyanate, 97%; Allyl isothiocyanate (USP); Allyl isothiocyanate [USAN:USP]; I0185; prop-2-enisothiocyanate; Oil of mustard, artificial; Allyl isothiocyanate, stabilized [UN1545] [Poison]; 107231-30-1; Allyl isothiocyanate, >=95%, FCC; ALLYL ISOTHIOCYANATE; 58391-87-0; Allylsenevol; BRN 0773748; Isothiocyanate d'allyle; TR-019960; NSC-760137; 3-isothiocyanatopropene, 2-propenyl isothiocyanate, mustard oil, allyl isorhodanide, allyl mustard oil, synthetic mustard oil, allylsenevol, redskin, volatile oil of mustard; Volatile mustard oil; Isothiocyanate d'allyle [French]; 5832AE; Oils, brassica alba; J-512735; allyl isothiocyanate; ATC; AITC; Allylisothiokyanat; DB-022435; Senf oel [German]; FEMA Number 2034; Mustard, yellow (Brassica spp.); Allyl isothiocyanate, non-perfume grade; GTPL2420; LS-1387; 3-isothiocyanatoprop-1-ene; FT-0622027; allyl isorhodanide; AC1Q2ABE; UN1545; Mustard essential oils; AITK; Allyl isothiocyanate non-perfume grade; Potassium, (1-isothiocyanato-2-propenyl)-; NCI-C50464; NSC5572; C19317; Allyl isothiocyanate, stabilized [UN1545] [Poison]; Oils, essential, mustard; Senfoel; Y-9048; Allyl isosulfocyanate; F9995-1653; FT-0622004; 3-iso-Thiocyanatoprop-1-ene; Oleum sinapis volatile; Allyl isothiocyanate (natural); LS-3207; 3-isothiocyanato-prop-1-ene; Potassium allyl isothiocyanate; UNII-3ZT10W4376; 3-Isothiocyanato-1-propene; Oils, glyceridic, mustard; EINECS 200-309-2; AITC; allyl thiocarbonimide; InChI=1/C4H5NS/c1-2-3-5-4-6/h2H,1,3H; Carbospol; BB_SC-6433; Propene, 3-isothiocyanato-; allyl-iso-thiocyanate; Mustard oil, volatile, synthetic; Mustard Oil (Synthetic); D0BQ8Y; ZOJBYZNEUISWFT-UHFFFAOYSA-N; Artificial mustard oil; Isothiocyanic acid, allyl ester; MUSTARD OIL; I09-0185; 1-Propene, 3-isothiocyanato-; Oil of mustard BPC 1949; Allyl isothiocyanate, purum, >=98% (GC); MolPort-001-769-093; CAS-57-06-7; AC1Q2A9Q; AN-23573; Mustard seed oil; Isothiocyansaeureallylester; FEMA No. 2761; AI3-15283; ISOTHIOCYANIC ACID,ALLYL ESTER; NSC-5572; KB-47208; NCGC00259798-01; FEMA No. 2760; MCULE-3404572895; AB01563144_01; Allylsenfoel [German]; 50888-64-7; ALLYLISOTHIOCYANATE; Allyspol; Oils, mustard; Allyl isothiocyanate, inhibited; Pharmakon1600-01506103; Isothiocyanato-1-propene; Synthetic mustard oil; HSDB 617; Propenyl isothiocyanate; AKOS000119301; DSSTox_GSID_20047; Volatile oil of mustard; mustard oil; Redskin; DTXSID3020047; Fats and Glyceridic oils, mustard; 3ZT10W4376; (T)ALLYL ISOTHIOCYANATE; Allyl isothiocyanate, PESTANAL(R), analytical standard, stabilized; Artificial oil of mustard; NSC 5572; Allyspol 75EC; Tox21_111165; ol eum sinapis volatile; Allylsenfoel; BBL027483; Oil of mustard; Allyl sevenolum; Senf oel; Tox21_202249; Mustard, brown (Brassica spp.); EINECS 232-358-0; EPA Pesticide Chemical Code 004901; DSSTox_CID_47; Allyl isothiocyanate, contains BHT as stabilizer, 95%; Oleum sinapis; 1058737-73-7; WLN: SCN2U1; Mustard oil, volatile; Mustard oil (VAN); AC1L1LIX; Isothiocyanic acid allyl ester; Essential oils, mustard; BN34FX42G3; Oil Of mustard; Allyl isothiocyanate, stabilized; Allyl isosulphocyanate; Mustardseed Oil; Tox21_302890; BP-12926; MFCD00004822; HMS3264D06; D02818; NSC760137; CHEMBL233248; FEMA No. 2034; 8007-40-7; Allyl isothiocyanate [USAN]; CTK1G9557; ZINC1687017; 50978-48-8; Brassica seed oil; 1957/6/7; Oil of mustard, expressed; ST51046777; CCG-213613; SBB060631; Allylisothiokyanat [Czech]; CCRIS 20; NCGC00091743-01; NCGC00256536-01; Allylsevenolum; Oils, brassica nigra; Allyl thioisocyanate; DSSTox_RID_75336; 3-isothiocyanatopropene; BDBM50203072; RL04154; NCGC00091743-02; 2-Propenyl isothiocyanate; UNII-BN34FX42G3; Caswell No. 027; Allyl mustard oil; CHEBI:73224; Allyl isothiocyanate, 97%; ZINC01687017; Allyl isothiocyanate (USP); Allyl isothiocyanate [USAN:USP]; I0185; prop-2-enisothiocyanate; Oil of mustard, artificial; Allyl isothiocyanate, stabilized [UN1545] [Poison]; 107231-30-1; Allyl isothiocyanate, >=95%, FCC; ALLYL ISOTHIOCYANATE; 58391-87-0; Allylsenevol; BRN 0773748; Isothiocyanate d'allyle; TR-019960; NSC-760137; 3-isothiocyanatopropene, 2-propenyl isothiocyanate, mustard oil, allyl isorhodanide, allyl mustard oil, synthetic mustard oil, allylsenevol, redskin, volatile oil of mustard; Volatile mustard oil; Isothiocyanate d'allyle [French]; 5832AE; Oils, brassica alba; J-512735; Allylisothiokyanat; DB-022435; Senf oel [German]; FEMA Number 2034; Mustard, yellow (Brassica spp.); Allyl isothiocyanate, non-perfume grade; GTPL2420; LS-1387; 3-isothiocyanatoprop-1-ene; FT-0622027; Mustard oil; allyl isorhodanide; AC1Q2ABE; UN1545; Mustard essential oils; AITK; Allyl isothiocyanate non-perfume grade; Potassium, (1-isothiocyanato-2-propenyl)-; NCI-C50464; NSC5572; C19317; Allyl isothiocyanate, stabilized [UN1545] [Poison]; Oils, essential, mustard; Senfoel; Y-9048; Allyl isosulfocyanate; F9995-1653; FT-0622004; 3-iso-Thiocyanatoprop-1-ene; Oleum sinapis volatile; 377430_ALDRICH; Allyl isothiocyanate (natural); LS-3207; 3-isothiocyanato-prop-1-ene; Potassium allyl isothiocyanate; UNII-3ZT10W4376; 3-Isothiocyanato-1-propene; Oils, glyceridic, mustard; EINECS 200-309-2; AITC; allyl thiocarbonimide; InChI=1/C4H5NS/c1-2-3-5-4-6/h2H,1,3H; Carbospol; BB_SC-6433; Propene, 3-isothiocyanato-; 4-04-00-01081 (Beilstein Handbook Reference); allyl-iso-thiocyanate; Mustard oil, volatile, synthetic; Mustard Oil (Synthetic); D0BQ8Y; ZOJBYZNEUISWFT-UHFFFAOYSA-N; Artificial mustard oil; Isothiocyanic acid, allyl ester; MUSTARD OIL; I09-0185; 1-Propene, 3-isothiocyanato-; Oil of mustard BPC 1949; Allyl isothiocyanate, purum, >=98% (GC); W203408_ALDRICH; MolPort-001-769-093; CAS-57-06-7; AC1Q2A9Q; AN-23573; Mustard seed oil; Isothiocyansaeureallylester; FEMA No. 2761; AI3-15283; ISOTHIOCYANIC ACID,ALLYL ESTER; NSC-5572; KB-47208; NCGC00259798-01; FEMA No. 2760; MCULE-3404572895; 06019_FLUKA; AB01563144_01; Allylsenfoel [German]; 50888-64-7; ALLYLISOTHIOCYANATE; Allyspol; Oils, mustard; Allyl isothiocyanate, inhibited; Pharmakon1600-01506103; 57-06-7; Isothiocyanato-1-propene; Synthetic mustard oil; HSDB 617; 36682_RIEDEL; Propenyl isothiocyanate; AKOS000119301; DSSTox_GSID_20047; allylimino-thioxo-methane; Volatile oil of mustard | C4H5NS | 99.16 g/mol | C=CCN=C=S |
| TCMBANKIN058125 | cyanidol | Cyanidin-3-monogalactoside_qt; cyanidin chloride; cyanidin 3,5-di-O-glycoside_qt; cyanidolchloride; Wild groundnut red_qt; cyanidin; cyanidin 3-glucoside_qt; chrysanthemin_qt; cyanidin-3-glucoside_qt; Cyanin_qt; cyanidin-3-rutinoside_qt; Cyanidin 3-O-glucoside_qt; cyanidin ; 2-(3,4-dihydroxyphenyl)-7-hydroxychromenium-3,5-diolate; cyanidin(1-); CHEBI:71682; cyanidin | C15H11O6+ | 287.24 g/mol | C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O)O |
| TCMBANKIN058126 | chrysanthemin | cyanidin-3-glucoside; Chrysanthemin; LMPK12010110; cyanidin 3-glucoside; Cyanidin 3-O-glucoside; cyanidin 3-o-glucoside; cyanidin-3-O-glucoside | C28H58O | 410.76 | C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O |
| TCMBANKIN058186 | FA | F8798_SIAL; IDI1_000494; SPECTRUM1502020; KBio1_000494; Folsaure; Acifolic; Prestwick3_000627; Folipac; PGA (VAN); Folsaeure; InChI=1/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s; Novofolacid [Canada]; KBio2_006997; Folaemin [Netherlands]; Foldine [France]; L-Glutamic acid, N-(4-(((2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-; Liver Lactobacillus casei factor; ARONIS014410; Cytofol; Folicet; Foliamin; Folcidin (VAN); Folcidin; Nifolin [Denmark]; Pteroylmonoglutamic acid; L-glutamic acid, N-[4-[[(2-amino-4,8-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-; N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid; Antianemia factor; KBioSS_001861; Folico (Italy); Spectrum4_001751; 4-Pteridinol, 2-amino-6-((p-((1,3-dicarboxypropyl)carbamoyl)anilino)methyl)-; C00504; CAS-59-30-3; L-Glutamic acid, N-(4-((2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-; BPBio1_000654; Pteroylmonoglutamate; Pteroyl-L-monoglutamic acid; DivK1c_000494; Folbal; Glutamic acid, N-(p-(((2-amino-4-hydroxypyrimido(4,5-b)pyrazin-6-yl)methyl)amino)benzoyl)-, L; Folic acid [BAN:INN:JAN]; FOL; KBio2_001861; BSPBio_002338; Glutamic acid, pteroyl-, l-; BSPBio_000594; F8758_SIGMA; Vitamin B11; N-(4-(((2-Amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)amino)benzo- yl)-L-glutamic acid; Vitamin M; CHEBI:27470; KBio2_004429; Folettes; NCGC00016265-01; Vitamin B9; 47620_FLUKA; (2S)-2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]glutaric acid; Factor U; Acidum folicum [INN-Latin]; Spectrum2_001459; Folate; Vitamin Be; Incafolic; Acide folique [INN-French]; Pteroyl-L-glutamic acid; Glutamic acid, N-(p-(((2-amino-4-hydroxy-6-pteridinyl)methyl)amino)benzoyl)-, L-; HSDB 2002; N-(p-(((2-Amino-4-hydroxy-6-pteridinyl)methyl)amino)benzoyl)-L-glutamic acid; D00070; Spectrum3_000749; Folasic (Australia); Mittafol; SMP2_000137; N-(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid; NINDS_000494; Kyselina listova [Czech]; F8890_SIGMA; 59-30-3; AI3-26387; Acido folico [INN-Spanish]; NCGC00142391-01; (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid; Folsav; Folic acid (JP15/USP/INN); KBioGR_002222; Folicet (TN); Folan; CCRIS 666; PteGlu; KBio3_001558; EINECS 200-419-0; Mission Prenatal; Folacid; Spectrum_001381; Folic acid; L-Glutamic acid, N-(4-(((2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)amino)benzo- yl)-; Vitamin Bc; Spectrum5_000602; 33609-88-0; SDCCGMLS-0066738.P001; (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid; SPBio_001357; N-(4-((2-Amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-L-glutamic acid; Folacin; N-pteroyl-L-glutamic acid; Folina (Italy); 01769_FLUKA; Prestwick_230; Acfol (Spain); F7876_SIAL; (2S)-2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid; Folvite; Millafol; Facid | C19H19N7O6 | 441.4 | C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N |
| TCMBANKIN058229 | daidzein | Daidzei; 486-66-8; AIDS-059333; ST057515; KBio2_005871; CCRIS 7600; 7-Hydroxy-3-(4-hydroxy- phenyl)- chromone; SPBio_000205; AIDS059333; 4′,7-Dihydroxy- iso- flavone; nchembio.2007.28-comp31; KBio2_003303; Spectrum3_000191; Isoflavone, 4',7-dihydroxy- (8CI); Oprea1_182317; 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one; Spectrum5_000857; NCGC00025156-01; BiomolKI_000060; S00273; NCGC00015365-01; KBio1_001023; BiomolKI2_000066; KBioSS_000735; Daidzeol; SMP1_000089; 7,4'-Dihydroxyisoflavone; 7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone; C10208; SPECTRUM200789; nchembio.76-comp16; BSPBio_001741; NCGC00025156-09; Daidzein (6CI); 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-; BRN 0231523; 5-18-04-00089 (Beilstein Handbook Reference); Daidzein; Daidzein (4',7-Dihydroxyisoflavone); KBioGR_002432; NINDS_001023; KBio2_000735; ACon1_000543; NCGC00025156-07; ZINC00047551; daidzein ; NCGC00025156-02; Lopac-D-7802; Tocris-1417; 7-hydroxy-3-(4-hydroxyphenyl)chromone; ACon0_001477; 7-Hydroxy-3-(4-hydroxy-phenyl)-chromone; KBio3_001241; DivK1c_001023; Spectrum4_001964; K 251b; UPCMLD-DP052:001; IDI1_001023; MEGxm0_000123; Lopac0_000412; D7802_SIGMA; Spectrum2_000053; EINECS 207-635-4; Spectrum_000255; 4′,7-Dihydroxyisoflavone; NCGC00025156-05; 4',7-Dihydroxy-iso-flavone; NCGC00025156-04; 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one; 7-Hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; 7-hydroxy-3-(4-hydroxyphenyl)-4-chromenone; 7-Hydroxy-3-(4-hydroxy- phenyl)-4H-1-benzo- pyran-4-one; EU-0100412; CHEBI:28197; SDCCGMLS-0066422.P001; 4',7-Dihydroxyisoflavone; Oprea1_305345 | C15H10O4 | 254.24 | C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O |
| TCMBANKIN058238 | sinalbine | sinalbin ; 4-hydroxybenzyl-Glucosinolate | C14H19NO10S2 | 425.4 g/mol | C1=CC(=CC=C1CC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O)O |
| TCMBANKIN058259 | p-aminophenol;para-aminophenol | 4-AMINO-PHENOL; Tox21_113477; SBB059792; para aminophenol; Fourrine 84; AS04549; 9225-EP2275420A1; DSSTox_GSID_24499; 4-Aminophenol (Acetaminophen Related Compound K) (Paracetamol Impurity K), Pharmaceutical Secondary Standard; Certified Reference Material; Certinal; AKOS000119829; p-Aminofenol; 4-Aminophenol, >=99% (HPLC); AN-24398; CJ-12175; BDBM26195; ST088538; J-004908; FT-0617593; A0384; Benzofur P; Aminophenol, p-; NSC-1545; BB_SC-6973; AKOS016371265; AK-46590; KB-189354; CCRIS 4146; to_000006; BASF Ursol P Base; DSSTox_CID_4499; Tox21_201030; 4NL; ACMC-209aoj; SCHEMBL3424; Para-aminophenol; 4-amino phenol; p-aminobenzenol; Tertral P Base; CI 76550; Acetaminophen Impurity K; BG00599911; 4-aminophenol; 9225-EP2280008A2; p-Aminophenol [UN2512] [Poison]; bmse000462; Phenol, p-amino-; para-hydroxyaniline; AC1Q523U; 4-aminophenol?; Pelagol CP (Salt/Mix); 1-Amino-4-hydroxybenzene; AB1009438; TRA0083709; para-amino-phenol; Phenol, 4-amino-; NCGC00090816-05; 9225-EP2308872A1; Epitope ID:117708; Pelagol Grey CP (Salt/Mix); Ursol P; UNII-R7P8FRP05V; AM86423; NCGC00090816-02; Pelagol Grey P Base; CAS-123-30-8; SGCUT00256; Tox21_113477_1; HSDB 2640; R7P8FRP05V; AJ-333/25022099; Nako Brown R; p-Aminophenol [UN2512] [Poison]; Zoba Brown P Base; AI3-14872; 9225-EP2316829A1; Kodelon; 63084-98-0 (sulfate [2:1]); ST2405553; TR-003672; Takatol; ANW-18113; Rodinal; F2190-0438; NCGC00090816-01; Tox21_113242; J-514454; BBL011574; NCGC00090816-03; 4-hydroxy-aniline; C.I. 76550; 135807-EP2371803A1; PubChem22199; MFCD00007869; 4-Aminophenol, PESTANAL(R), analytical standard; 4-aminobenzenol; phenol derivative, 9; C.I. Oxidation Base 6A; C.I. Oxidation Base 6; PLIKAWJENQZMHA-UHFFFAOYSA-N; Durafur Brown R (Salt/Mix); paraaminophenol; 51-78-5 (hydrochloride); Pelagol P Base; Energol; 4-hydroxyphenylamine; SC-19013; 4-Aminophenol, >=98%; Furro P (Salt/Mix); Fouramine P; p-amino-phenol; Futramine P (Salt/Mix); Paramidophenol; 4-Aminophenol, technical grade, 95%; UN 2512; AC1Q523T; KB-79942; p-hydroxyaniline; AN-22912; Phenol,4-amino-; NSC1545; 4-hydroxyaniline; RP18925; 123-30-8; p-Aminofenol [Czech]; Z57127517; 4-Aminophenol, 250 mug/mL in acetonitrile, certified reference material, ampule of 1 mL; CHEMBL1142; L-1224; AJ-51764; MLS001066356; Durafur Brown RB; I01-0483; NCGC00258583-01; Fourrine P Base; CS-0006652; LS-676; STK286017; 135807-EP2377843A1; MCULE-3319647085; Para Amino Phenol; I924; KS-000000HN; WLN: ZR DQ; Citol; InChI=1/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H; NSC 1545; Ursol P Base; MolPort-001-641-054; Furro P Base; ZINC4623758; 4-Amino-1-hydroxybenzene; AC1L195P; Azol; p-Hydroxyphenylamine; Renal AC; UNAL; DTXSID3024499; C02372; KSC354Q5H; 4-Aminophenol, United States Pharmacopeia (USP) Reference Standard; SMR000471841; Peltol P (Salt/Mix); NCGC00090816-04; 52985-09-8; DSSTox_RID_77429; BC227837; Paranol; D07MTM; UNII-LST7140D72 component PLIKAWJENQZMHA-UHFFFAOYSA-N; EINECS 204-616-2; Mesalazine impurity A, European Pharmacopoeia (EP) Reference Standard; EC 204-616-2; CHEBI:17602;4-aminophenol; 4-AMINO-PHENOL; ZINC04623758; 35837_RIEDEL; Durafur Brown RB; Phenol, p-amino-; C.I. 76550; Fourrine P Base; AIDS019902; STK286017; A71328_ALDRICH; 1-Amino-4-hydroxybenzene; CPD-259; Fourrine 84; 4-aminobenzenol; WLN: ZR DQ; c0090; InChI=1/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H; C.I. Oxidation Base 6; p-aminophenol; Citol; NSC 1545; Ursol P Base; Certinal; Pelagol P Base; Furro P Base; Phenol, 4-amino-; p-Aminofenol; Fouramine P; Ursol P; 4-Amino-1-hydroxybenzene; Pelagol Grey P Base; CI 76550; p-Hydroxyphenylamine; Azol; Benzofur P; SGCUT00256; Aminophenol, p-; Renal AC; HSDB 2640; AJ-333/25022099; C02372; CCRIS 4146; to_000006; p-hydroxyaniline; p-Aminophenol [UN2512] [Poison]; SMR000471841; BASF Ursol P Base; Nako Brown R; NSC1545; 60034_RIEDEL; 4-hydroxyaniline; Zoba Brown P Base; 123-30-8; 4NL; p-Aminofenol [Czech]; AI3-14872; 52985-09-8; AIDS-019902; Paranol; p-aminobenzenol; Tertral P Base; EINECS 204-616-2; Rodinal; CHEBI:17602; MLS001066356; 51-78-5 (HCL); NCGC00090816-01;4-AMINO-PHENOL; Tox21_113477; SBB059792; para aminophenol; Fourrine 84; AS04549; 9225-EP2275420A1; DSSTox_GSID_24499; p-aminophenol; 4-Aminophenol (Acetaminophen Related Compound K) (Paracetamol Impurity K), Pharmaceutical Secondary Standard; Certified Reference Material; Certinal; AKOS000119829; p-Aminofenol; 4-Aminophenol, >=99% (HPLC); AN-24398; CJ-12175; BDBM26195; ST088538; J-004908; FT-0617593; A0384; Benzofur P; Aminophenol, p-; NSC-1545; BB_SC-6973; AKOS016371265; AK-46590; KB-189354; CCRIS 4146; to_000006; BASF Ursol P Base; DSSTox_CID_4499; Tox21_201030; 4NL; ACMC-209aoj; SCHEMBL3424; Para-aminophenol; 4-amino phenol; p-aminobenzenol; Tertral P Base; CI 76550; Acetaminophen Impurity K; BG00599911; 4-aminophenol; 9225-EP2280008A2; p-Aminophenol [UN2512] [Poison]; bmse000462; Phenol, p-amino-; para-hydroxyaniline; AC1Q523U; 4-aminophenol?; Pelagol CP (Salt/Mix); 1-Amino-4-hydroxybenzene; AB1009438; TRA0083709; para-amino-phenol; Phenol, 4-amino-; NCGC00090816-05; 9225-EP2308872A1; Epitope ID:117708; Pelagol Grey CP (Salt/Mix); Ursol P; UNII-R7P8FRP05V; AM86423; NCGC00090816-02; Pelagol Grey P Base; CAS-123-30-8; SGCUT00256; Tox21_113477_1; HSDB 2640; R7P8FRP05V; AJ-333/25022099; Nako Brown R; p-Aminophenol [UN2512] [Poison]; Zoba Brown P Base; AI3-14872; 9225-EP2316829A1; Kodelon; 63084-98-0 (sulfate [2:1]); ST2405553; TR-003672; Takatol; ANW-18113; Rodinal; F2190-0438; NCGC00090816-01; Tox21_113242; J-514454; BBL011574; NCGC00090816-03; 4-hydroxy-aniline; C.I. 76550; 135807-EP2371803A1; PubChem22199; MFCD00007869; 4-Aminophenol, PESTANAL(R), analytical standard; 4-aminobenzenol; phenol derivative, 9; C.I. Oxidation Base 6A; C.I. Oxidation Base 6; PLIKAWJENQZMHA-UHFFFAOYSA-N; Durafur Brown R (Salt/Mix); paraaminophenol; 51-78-5 (hydrochloride); Pelagol P Base; Energol; 4-hydroxyphenylamine; SC-19013; 4-Aminophenol, >=98%; Furro P (Salt/Mix); Fouramine P; p-amino-phenol; Futramine P (Salt/Mix); Paramidophenol; 4-Aminophenol, technical grade, 95%; UN 2512; AC1Q523T; KB-79942; p-hydroxyaniline; AN-22912; Phenol,4-amino-; NSC1545; 4-hydroxyaniline; RP18925; 123-30-8; p-Aminofenol [Czech]; Z57127517; 4-Aminophenol, 250 mug/mL in acetonitrile, certified reference material, ampule of 1 mL; CHEMBL1142; L-1224; AJ-51764; MLS001066356; Durafur Brown RB; I01-0483; NCGC00258583-01; Fourrine P Base; CS-0006652; LS-676; STK286017; 135807-EP2377843A1; MCULE-3319647085; Para Amino Phenol; I924; KS-000000HN; WLN: ZR DQ; Citol; InChI=1/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H; NSC 1545; Ursol P Base; MolPort-001-641-054; Furro P Base; ZINC4623758; 4-Amino-1-hydroxybenzene; AC1L195P; Azol; p-Hydroxyphenylamine; Renal AC; UNAL; DTXSID3024499; C02372; KSC354Q5H; 4-Aminophenol, United States Pharmacopeia (USP) Reference Standard; SMR000471841; Peltol P (Salt/Mix); NCGC00090816-04; 52985-09-8; DSSTox_RID_77429; BC227837; Paranol; D07MTM; UNII-LST7140D72 component PLIKAWJENQZMHA-UHFFFAOYSA-N; EINECS 204-616-2; Mesalazine impurity A, European Pharmacopoeia (EP) Reference Standard; EC 204-616-2; CHEBI:17602;p-aminophenol;para-aminophenol | C6H7NO | 109.13 g/mol | C1=CC(=CC=C1N)O |
| TCMBANKIN058324 | isoflavone | genistein(1-); 5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate; isoflavone ; CHEBI:74224; ST5331741; 574-12-9; 3-phenylchromen-4-one; 3-Phenylchromone; 4H-1-Benzopyran-4-one, 3-phenyl- (9CI); 3-phenyl-4H-1-benzopyran-4-one; NSC 135405; C00799; 3-phenyl-4-chromenone; CHEBI:18220; NSC135405; AIDS-002244; Isoflavone (8CI); 3-phenyl-4H-chromen-4-one; 4H-1-Benzopyran-4-one, 3-phenyl-; Isoflavone; AIDS002244; Isoflavon | C15H10O2 | 222.24 g/mol | C1=CC=C(C=C1)C2=COC3=CC=CC=C3C2=O |
| TCMBANKIN058350 | WLN: SCN2R | 253731_ALDRICH; 2-isothiocyanatoethylbenzene; NCI60_041942; Phenethyl isothiocyanate; ZERO/008133; Phenylethyl mustard oil; Phenylaethylsenfoel; EINECS 218-855-5; 4-12-00-02476 (Beilstein Handbook Reference); Phenylaethylsenfoel [German]; BRN 2084162; NSC 87868; 77972_FLUKA; .beta.-Phenylethyl isothiocyanate; 2-Phenylethyl isothiocyanate; Benzene, (2-isothiocyanatoethyl)-; .beta.-Phenethyl isothiocyanate; (2-isothiocyanatoethyl)benzene; Isothiocyanic acid, phenethyl ester; W401404_ALDRICH; beta-Phenylethyl isothiocyanate; NSC87868; CCRIS 3146; Phenethyl mustard oil; 2257-09-2; Phenylethyl isothiocyanate; ZINC02022074;phenethyl isothiocyanate;β-phenylethyl isothiocyanate;PEITC;beta-phenylethyl isothiocyanate;PEITC;beta-phenylethyl isothiocyanate | C9H9NS | 163.24 g/mol | C1=CC=C(C=C1)CCN=C=S |
| TCMBANKIN058354 | Urogran | NSC 118976; CHEBI:17484; benzyl isothiocyanate; NCIMech_000859; CHEBI:17484; KBio1_001724; (isothiocyanatomethyl)-benzene; MFCD00004819; UNII-871J6YOR8Q; KBioGR_001358; I0224; LS-7216; Benzene, (isothiocyanatomethyl)-; TR-033289; Isothiocyanatomethyl)benzene; Benzyl mustard oil; NCGC00094982-03; Spectrum_001820; KSC250O3D; AC1Q7EX9; KS-00000V2U; FT-0622167; 622-78-6; KBio2_007457; NSC-118976; ZINC1529592; HMS1921P18; KBio2_004889; Spectrum2_000852; DSSTox_RID_75407; Isothiocyanic Acid Benzyl Ester; CTK1F0731; NSC-758206; AB 2 (VAN); SCHEMBL44145; DB-022613; F0001-1663; DSSTox_CID_155; CCG-35868; Urogran; Pharmakon1600-01503006; KS-00001PQO; SPECTRUM1503006; Isothiocyanotaomethylbenzene; Benzene, isothiocyanatomethyl-; Spectrum5_001837; isothiocyanatomethyl-benzene; CJ-23924; Benzyl-isothiocyanate; DTXSID0020155; AB 2; phenylmethyl isothiocyanate; BRN 0386135; isothiocyanato-methyl-benzene; OTAVA-BB 1055640; AS04379; Benzylsenfoel [German]; AC1L1DH3; NSC118976; SBB002731; Tromalyt; alpha-Isothiocyanato-Toluene; WLN: SCN1R; Tromacaps; (Isothiocyanatomethyl)benzene; DSSTox_GSID_20155; ST50214559; 871J6YOR8Q; 1-(isothiocyanatomethyl)benzene; NSC758206; (Isothiocyanatomethyl)benzene, 9CI; Benzyl isothio cyanate; QTL1_000013; SBI-0052749.P002; CCRIS 3145; MCULE-5989558191; Toluene, alpha -isothiocyanato-; STK399787; 58019-05-9; NCIMech_000859; Isothiocyanic acid, benzyl ester; SDCCGMLS-0066697.P001; Spectrum4_001059; BITC, 17; TIMTEC-BB SBB002731; benzyl isothio cyanate; SR-05000002381; NCGC00094982-01; (Isothiocyanatomethyl)benzene #; a-isothiocyanatotoluene; CHEMBL55285; AI3-02736; EINECS 210-753-9; NCI60_000455; Benzyl isothiocyanate, 98%, FG; Tromocaps; AKOS000212138; NCGC00258743-01; Tromalyt active substance; KB-75435; PMITC cpd; ANW-34134; J-650076; MolPort-000-147-097; NCGC00094982-04; DivK1c_006780; alpha-isothiocyanatotoluene; Benzylisothiocyanate; RTR-033289; benzylisothiocyanate; NSC 118976; TL8004089; KBio2_002321; ZERO/008132; AC1Q7EYE; BBL013129; AKOS BBS-00004442; Spectrum3_000793; BDBM50240520; CAS-622-78-6; C03098; SPBio_000863; ACMC-209n1k; BB_SC-6549; KBio3_001746; I09-2433; BSPBio_002526; SR-05000002381-2; PubChem14549; isothiocyanatomethylbenzene; SpecPlus_000684; SC-13625; Benzyl isothiocyanate, analytical standard; Benzylsenfoel; Toluene, alpha-isothiocyanato-; Benzylsenfoel (german); AKOS JY2090023; LS11773; 4-12-00-02276 (Beilstein Handbook Reference); SR-05000002381-1; phenylmethanisothiocyanate; Toluene, .alpha.-isothiocyanato-; KBioSS_002323; Benzyl isothiocyanate, 98%; MDKCFLQDBWCQCV-UHFFFAOYSA-N; Tox21_201191; BITC; Benzyl isothiocyanate; NCGC00094982-02; AB00053249_03; FEMA 4428; BP-12924; KBio1_001724; KBio2_002321; (isothiocyanatomethyl)benzene; KBioGR_001358; Isothiocyanic acid, benzyl ester; ZERO/008132; Spectrum3_000793; Spectrum4_001059; SDCCGMLS-0066697.P001; C03098; SPECTRUM1503006; Benzene, (isothiocyanatomethyl)-; SPBio_000863; NCGC00094982-01; KBio3_001746; Spectrum5_001837; ZINC01529592; Benzyl mustard oil; Benzyl-isothiocyanate; AI3-02736; EINECS 210-753-9; BSPBio_002526; BRN 0386135; NCI60_000455; isothiocyanatomethylbenzene; SpecPlus_000684; Benzylsenfoel [German]; Spectrum_001820; NSC118976; Tromalyt; Toluene, alpha-isothiocyanato-; Benzylsenfoel; WLN: SCN1R; CCRIS 3145; Tromacaps; 4-12-00-02276 (Beilstein Handbook Reference); KBio2_007457; 622-78-6; Toluene, .alpha.-isothiocyanato-; KBioSS_002323; KBio2_004889; Spectrum2_000852; 252492_ALDRICH; Benzyl isothiocyanate; NCGC00094982-02; 13505_FLUKA; DivK1c_006780; AB 2 (VAN); Benzyl isothio cyanate; QTL1_000013; Benzylisothiocyanate; W510548_ALDRICH | C8H7NS | 149.21 g/mol | C1=CC=C(C=C1)CN=C=S |
| TCMBANKIN058364 | IPH | NCI-C50124; Phenol, liquid; Baker's P and S Liquid and Ointment; 48556_SUPELCO; Un 2812 (solution); Carbolic oil; 16018_RIEDEL; P4557_SIAL; AI3-01814; 52463_FLUKA; UN2821; Phenol, sulfurated; NSC 36808; (14C)Phenol; Phenic; 242322_SIAL; Fenolo; Phenol, chloro derivs.; 185450_SIAL; Paoscle (TN); P4682_SIAL; Fenosmoline; Phenole [German]; Phenole; PhOH; 328111_SIAL; 77614_FLUKA; acide phenique; UN2312; ST5214353; Carbolic acid, liquid; Phenol [JAN]; Liquid phenol; LS-476; P3653_SIAL; Phenol, solid [UN1671] [Poison]; NCGC00091454-03; RCRA waste number U188; WLN: QR; W322318_ALDRICH; Phenol (liquid); Phenol (or solutions with 5% or more phenol); Caswell No. 649; 16016_RIEDEL; Baker's p and s; Phenol, synthetic; Fenolo [Italian]; Phenol, pure; Phenol solution; HSDB 113; Phenyl alcohol; Oxybenzene; Izal; C15584; FEMA No. 3223; phenylalcohol; AIDS-000352; NSC36808; Phenol (TN); Phenol alcohol; 40063_SUPELCO; Phenol-UL-14C; UN 1671 (solid); 16017_RIEDEL; 33517_RIEDEL; InChI=1/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7; Acide carbolique [French]; carbolic acid; Synthetic phenol; Phenyl hydroxide; Fenol [Dutch, Polish]; RCRA waste no. U188; NCGC00091454-01; P1037_SIAL; UN1671; 46344_RIEDEL; 35952_RIEDEL; Fenol; ZINC00895069; Phenol, labeled with carbon-14; Fenosmolin; Baker's P & S liquid & Ointment; Monophenol; Phenylic alcohol; 564796_ALDRICH; Monohydroxybenzene; Phenol solutions [UN2821] [Poison]; 77607_FLUKA; Phenol, molten [UN2312] [Poison]; 297437_SIGMA; P9346_SIAL; CHEBI:15882; c0128; Carbolsaure [German]; EINECS 203-632-7; Phenol (JP15/USP); Phenyl hydrate; Phenol, polymer-bound; UN 2312 (molten); D00033; EPA Pesticide Chemical Code 064001; EINECS 262-972-4; 48688_SUPELCO; Phenol, liquefied; Phenol, chlorinated; Benzene, hydroxy-; CCRIS 504; Karbolsaeure; Paoscle; Liquified Phenol; Acide carbolique; Monohydroxy benzene; P5566_SIAL; NCGC00091454-02;phenylic alcohol;NCI-C50124; 582-EP2308872A1; UN 2312; 582-EP2284148A1; 582-EP2308875A1; 582-EP2275404A1; 582-EP2292597A1; Phenol, liquid; 582-EP2315502A1; AC1Q791G; 582-EP2305689A1; NCGC00259188-01; 582-EP2295426A1; Campho-Phenique Liquid; 582-EP2380872A1; 582-EP2311464A1; 582-EP2316937A1; 3f39; 78049-EP2277868A1; Carbolsaeure; 582-EP2284157A1; J-610001; Carbolsaure; UN2821; 582-EP2305698A2; 582-EP2279750A1; 582-EP2308861A1; AJ-53232; 108-95-2; 582-EP2275395A2; MFCD00002143; 582-EP2275105A1; Phenole [German]; Phenole; AC1L1AHZ; 582-EP2286812A1; 582-EP2308877A1; Phenol, detached crystals, 99% 100g; acide phenique; 582-EP2287166A2; P1610; 582-EP2301538A1; 582-EP2301919A1; 582-EP2316470A2; Hydroxybenzene; Tox21_113463_1; 61788-41-8; 582-EP2316974A1; 14534-23-7; NCGC00091454-03; WLN: QR; Phenol, SAJ first grade, >=98.0%; 582-EP2277879A1; Phenol (or solutions with 5% or more phenol); benzenod; 582-EP2277881A1; Baker's p and s; RL00383; Phenol, pure; 582-EP2301924A1; PHENOL- D6; HSDB 113; Hydroxy-benzene; Izal; Phenol, unstabilized, purified by redistillation, >=99%; C15584; Phenol, puriss., meets analytical specification of Ph. Eur., BP, USP, >=99.5% (GC), crystalline (detached); NCGC00091454-04; 582-EP2280021A1; UN 1671 (solid); C6H6O; InChI=1/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7; 582-EP2298758A1; 582-EP2272817A1; 582-EP2308848A1; Phenol solution, BioReagent, Saturated with 0.1 M citrate buffer, pH??4.3 +/- 0.2, for molecular biology; Phenol [USP:JAN]; 582-EP2289879A1; H2391; 582-EP2305649A1; 582-EP2308873A1; Phenol, LR, >=99%; AK113559; 582-EP2298753A1; NCGC00091454-07; RCRA waste no. U188; Phenol, ultrapure; 582-EP2311811A1; SMR000568492; Fenosmolin; 582-EP2302015A1; Phenylic alcohol; 78049-EP2277870A1; Pandy's reagent; 582-EP2280004A1; 582-EP2301926A1; Liquefied phenol BP; Carbolsaure [German]; EINECS 203-632-7; 8002/7/1; 582-EP2272849A1; Phenol, BioXtra, >=99.5% (GC); ISWSIDIOOBJBQZ-UHFFFAOYSA-N; 582-EP2301935A1; 582-EP2308880A1; FT-0645154; Paoscle; Phenol molten; 50356-25-7; 582-EP2295424A1; AB1002201; Benzenol; BDBM26187; Phenol, >=99%; 582-EP2311814A1; Fenol(DUTCH, POLISH); 582-EP2280003A2; 582-EP2311494A1; 1li2; 582-EP2316832A1; 1ai7; Un 2812 (solution); Carbolic oil; 582-EP2298759A1; AI3-01814; Phenol, sulfurated; 582-EP2298778A1; (14C)Phenol; 582-EP2301929A1; Phenol, PESTANAL(R), analytical standard; 582-EP2295434A2; BIDD:ER0293; NCGC00254019-01; I01-9247; 582-EP2275411A2; 582-EP2308838A1; Paoscle (TN); 582-EP2284147A2; EC 203-632-7; Fenosmoline; hydroxybenzend; PhOH; 582-EP2272813A2; 582-EP2305687A1; Phenol, detached crystals; Phenol, AR, >=99.5%; MolPort-000-871-946; Tox21_113463; PHENOL, 80% in ethanol; 582-EP2272822A1; DSSTox_RID_75955; Phenol solution, 100 mug/mL in acetonitrile, PESTANAL(R), analytical standard; Carbolic acid, liquid; Liquid phenol; 582-EP2277570A2; Phenol, >25% in a non hazardous diluent; Phenol (liquid); Phenol, for molecular biology; Caswell No. 649; 582-EP2277568A2; Phenol, synthetic; Fenolo [Italian]; 582-EP2305674A1; 4-hydroxybenzyl group; 582-EP2295429A1; 582-EP2287162A1; 78049-EP2272846A1; Phenol, p.a., ACS reagent, 99.5-100.5%; FEMA No. 3223; Phenol (TN); Phenol (JP17/USP); DTXSID5021124; 582-EP2287161A1; 582-EP2305673A1; 582-EP2295399A2; 139-02-6 (hydrochloride salt); 582-EP2305664A1; 582-EP2371811A2; 582-EP2374784A1; 582-EP2277569A2; 582-EP2305695A2; BP-30160; 582-EP2308510A1; KB-59534; 582-EP2298744A2; Phenol, natural, 97%, FG; 582-EP2295437A1; carbolic acid; 582-EP2280010A2; 582-EP2284160A1; 582-EP2287165A2; Fenol [Dutch, Polish]; UN1671; 582-EP2371807A1; Phenol, labeled with carbon-14; Phenol, United States Pharmacopeia (USP) Reference Standard; UN 2821; Liquefied phenol; Monohydroxybenzene; bmse000290; 582-EP2289892A1; 582-EP2311822A1; Cepastat lozenges; Phenol solutions; 78049-EP2292608A1; 582-EP2305625A1; 582-EP2305684A1; Phenol, polymer-bound; 582-EP2301983A1; Phenyl hydrate; UN 2312 (molten); 582-EP2280020A1; 582-EP2308878A2; Phenol, BP grade 80% aqueous solution; MCULE-9943948107; EINECS 262-972-4; KS-00000VIO; DB03255; UNII-339NCG44TV; 582-EP2311831A1; Phenol, molten [UN2312] [Poison]; Monohydroxy benzene; NCGC00091454-02; 582-EP2316833A1; LS-105199; Phenol solution, 5000 mug/mL in methanol, certified reference material; 582-EP2277567A1; Cuticura pain relieving ointment; 582-EP2277867A2; 582-EP2298742A1; 582-EP2316824A1; 582-EP2314579A1; 582-EP2305243A1; Baker's P and S Liquid and Ointment; 582-EP2372017A1; 582-EP2316829A1; F1908-0106; AN-22534; 582-EP2305627A1; ACMC-1CE2K; 582-EP2280006A1; NSC 36808; 582-EP2284169A1; Fenolo; PHENOL, ACS; 78049-EP2371806A1; DSSTox_GSID_21124; 582-EP2295428A2; 582-EP2289883A1; Liquefied phenol (TN); UN 1671; 582-EP2284146A2; 582-EP2301937A1; 582-EP2305633A1; Phenol synthetic; Phenol [JAN]; Phenolated water for disinfection; MLS001065591; Phenol solutions [UN2821] [Poison]; NSC-36808; Phenol homopolymer; Phenol, solid [UN1671] [Poison]; DSSTox_CID_1124; 582-EP2269997A2; 582-EP2311455A1; NCGC00091454-05; 582-EP2308840A1; Phenol stock solution, 100 mg/dL, standard; C00146; PHENOL REAGENT; 582-EP2301536A1; 582-EP2272972A1; 582-EP2305808A1; Phenyl alcohol; 582-EP2316836A1; 582-EP2371806A1; 582-EP2281819A1; 78049-EP2371807A1; Phenol, polymer-bound, 100-200 mesh, extent of labeling: 0.5-1.5 mmol/g loading, 1 % cross-linked with divinylbenzene; 582-EP2305648A1; 582-EP2305640A2; 582-EP2314571A2; Phenol, >=96.0% (calc. on dry substance, T); Phenol, BioUltra, for molecular biology, >=99.5% (GC); I14-62966; NA 2821; SC-26791; Phenol,industrial; Phenol for disinfection (JP17); 582-EP2374785A1; 582-EP2277872A1; Phenol polymer-bound; CS0062; 582-EP2281817A1; AKOS000119025; 582-EP2305679A1; 582-EP2275420A1; 582-EP2275403A1; 582-EP2311834A1; NCGC00091454-01; Fenol; Tox21_300042; Baker's P & S liquid & Ointment; bmse010026; Liquified Phenol, meets USP testing specifications, >=89.0%; Campho-Phenique Cold Sore Gel; CAS-108-95-2; CRISTALESDEFENOL; 582-EP2284165A1; 582-EP2314576A1; Carbolic acid liquid; 582-EP2308865A1; TEA polyphenol; 582-EP2270003A1; 582-EP2270101A1; 78049-EP2308866A1; C6H5OH; ANW-15995; D00033; 63496-48-0; AM802906; Phenosmolin; Liquefied phenol (JP17); 582-EP2311829A1; Phenol, ACS reagent; Benzene, hydroxy-; CCRIS 504; Phenol, 90% aqueous solution; Hydroxybenzene solution; 582-EP2280012A2; Acide carbolique; CTK0H5673; 582-EP2269975A2; 582-EP2277566A2; 582-EP2298776A1; 78049-EP2277869A1; Phenic alcohol; p-Hydroxy polystyrene (100-200 mesh, 0.5-1.5 mmol/g); 582-EP2295438A1; NCGC00091454-06; Phenol, solid; 582-EP2295427A1; Phenol, contains hypophosphorous as stabilizer, loose crystals, ACS reagent, >=99.0%; 582-EP2305033A1; 582-EP2275415A2; 582-EP2311808A1; 582-EP2272973A1; Phenol, JIS special grade, >=99.0%; Phenol, >=99.0%; 52009-05-9; 582-EP2314295A1; Phenic; 582-EP2298750A1; PHENOL, ULTRA PURE; 582-EP2298734A2; phenol; 582-EP2287167A1; 582-EP2284178A2; Tox21_201639; 582-EP2272935A1; 27073-41-2; 582-EP2270113A1; 582-EP2305697A2; Phenol, molten; UN2312; LS-476; 582-EP2289509A2; Phenol, puriss. p.a., ACS reagent, reag. Ph. Eur., 99.0-100.5%; IPH; PHENOL REAGE NT; 78049-EP2287158A1; Phenol solution; Oxybenzene; Phenol for disinfection (TN); 582-EP2298775A1; Campho-Phenique Gel; phenylalcohol; Phenol liquid; NSC36808; 582-EP2377842A1; Phenol alcohol; Phenol 10 microg/mL in Methanol; 4i7l; RTR-002010; hydroxy benzene; Phenol, BioUltra, for molecular biology, TE-saturated, ~73% (T); Carbolicum acidum; 582-EP2292280A1; Phenol, unstabilized, ReagentPlus(R), >=99%; 56322-06-6; 582-EP2314588A1; Acide carbolique [French]; 582-EP2274983A1; Synthetic phenol; 582-EP2289891A2; Phenyl hydroxide; Phenic acid; phenylic acid, phenyl hydroxide; MFCD03703209; 582-EP2277565A2; 2-hydroxybenzoyl group; LTBB002354; 582-EP2287158A1; Monophenol; Phenol 100 microg/mL in Methanol; 582-EP2269977A2; 582-EP2289965A1; 582-EP2286811A1; Phenol solutions [UN2821] [Poison]; 582-EP2292620A2; 582-EP2316831A1; Phenol, molten [UN2312] [Poison]; 582-EP2305696A2; 73607-76-8; ZINC5133329; 582-EP2280001A1; 582-EP2295411A1; CHEBI:15882; Phenol solution, certified reference material, 500 mug/mL in methanol; 582-EP2289896A1; 582-EP2308471A1; 339NCG44TV; 582-EP2305668A1; phenyloxidanyl; Rcra waste number U188; EPA Pesticide Chemical Code 064001; Phenol, solid [UN1671] [Poison]; 582-EP2305662A1; CHEMBL14060; 582-EP2316452A1; 97694-EP2305662A1; Phenol, liquefied; 582-EP2311824A1; Phenylic acid; Karbolsaeure; 582-EP2289868A1; Phenol, puriss., meets analytical specification of Ph. Eur., BP, USP, 99.5-100.5% (GC); Liquified Phenol; Phenol, for molecular biology, ~90% (T), liquid; Phenolated water; 582-EP2305685A1; 582-EP2292608A1; Phenol solution, BioReagent, Equilibrated with 10??mM Tris HCl, pH??8.0, 1??mM EDTA, for molecular biology;4-[5-phenyl-4,5-dihydro-3-isoxazolyl)-2-methylphenol; 2-methyl-4-(5-phenyl-4,5-dihydroisoxazol-3-yl)phenol;phenylic acid;phenol;hydroxybenzene | C6H6O | 94.11 g/mol | C1=CC=C(C=C1)O |
| TCMBANKIN058461 | URC | Uric acid (8CI); U2625_SIGMA; NSC 3975; 7H-purine-2,6,8-triol; AI3-15432; 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro- (9CI); nchembio768-comp1; 1H-Purine-2,6,8-triol; ST5298833; 69-93-2; 34318-07-5; trioxopurine; 42911-25-1; Lithic acid; CHEBI:46814; purine-2,6,8-(1H,3H,9H)-trione; C00366; 7,9-Dihydro-1H-purine-2,6,8(3H)-trione; 33278-42-1; CHEBI:46811; 2,6-dihydroxy-7,9-dihydro-8H-purin-8-one; 9H-purine-2,6,8-triol; ZINC00895200; 530-13-2; InChI=1/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12; uric acid; ST5406901; 2,6,8-trioxypurine; 1H-Purine-2,6,8-triol 2,6,8-Trihydroxypurine; AIDS023028; 13154-20-6; CHEBI:17775; Purine-2,6,8(1H,3H,9H)-trione; 7,9-dihydro-3H-purine-2,6,8-trione; NSC3975; 42911-28-4; CHEBI:46823; 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-; AIDS-023028; URATE; 2,6,8-Trioxopurine; 2,6,8-trihydroxypurine; EINECS 200-720-7; 8-hydroxyxanthine; 42911-27-3; U0881_SIGMA; CHEBI:46817 | C5H4N4O3 | 168.11 | C12=C(NC(=O)N1)NC(=O)NC2=O |
| TCMBANKIN058607 | Stilon | 168214-28-6; Hexanone isoxime; NSC 117393; AIDS018627; AI3-14515; Hexahydro-2-azepinone; NSC25536; 2953-03-9; Caprolattame; C2204_ALDRICH; Aminocaproic lactam; 2-Azepinone, hexahydro-, (Z)-; Hexanonisoxim [German]; Kapromine; AIDS-018627; HEXANOIC ACID,6-AMINO,LACTAM E-CAPROLACTAM; E-caprolactum; NSC117393; azepan-2-one; gamma-caprolactam; 2-Azacycloheptanone; 2H-Azepin-7-one, hexahydro-; Caprolactam; 2-Ketohexamethylenimine; Caprolattame [French]; 32838-21-4; c0432; 240591_ALDRICH; EINECS 203-313-2; BRN 0106934; CHEBI:28579; NCI-C50646; W423501_ALDRICH; 6-Caprolactam; 2-Perhydroazepinone; Cyclohexanone iso-oxime; 34876-18-1; Kaprolaktam; ZINC00394707; e-Kaprolaktam; hexannic acid; cis-Hexahydro-2-azepinone; A1030; Caprolactam solution; .omega.-Caprolactam; Hexahydro-2H-azepin-2-one (9CI); epsilon-Caprolactam; WLN: T7MVTJ; 117955-36-9; InChI=1/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8; 2-Oxohexamethyleneimine; 105-60-2; Caprolactam monomer; Hexanonisoxim; CM3900000; 2-ketohexamethyleneimine; 6-Aminocaproic acid lactam; Hexanolactam; 21500_FLUKA; NSC4977; Hexahydro-2H-azepin-2-one; Hexanoic acid, 6-amino-, cyclic lactam; e-Kaprolaktam [Czech]; 6-Aminohexanoic acid cyclic lactam; 1,6-Hexalactam; CCRIS 119; .epsilon.-Caprolactam; Epsylon kaprolaktam [Polish]; 1-Aza-2-cycloheptanone; Caprolactam dust and vapor; 1,6-Hexolactam; Perhydroazepin-2-one; Aza-2-cycloheptanone; ST5308104; 2-azepanone; Capron PK4; Extrom 6N; HSDB 187; 2H-Azepin-2-one, hexahydro-; 6-Hexanelactam; hexanoic acid-6-amino-,lactam; Hexamethylenimine, 2-oxo-; 2-Oxohexamethylenimine; Epsylon kaprolaktam; 5-21-06-00444 (Beilstein Handbook Reference); Hexanoic acid, 6-amino-, lactam; omega-caprolactum; 2H-azepin-7-one,hexahydro; C06593; 32838-23-6;hexannic acid | C6H11NO | 113.16 g/mol | C1CCC(=O)NCC1 |
| TCMBANKIN058958 | LEVA | gamma-Ketovaleric acid; .gamma.-Ketovaleric acid; 3-Acetylpropionsaeure; Levulinsaeure; InChI=1/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8; Valeric acid, 4-oxo-; 4-03-00-01560 (Beilstein Handbook Reference); NSC3716; CHEBI:45630; .beta.-Acetylpropionic acid; AIDS017682; LMFA01060006; AI3-03377; ST5213942; 3-Ketobutane-1-carboxylic acid; Laevulinic acid; 4-Ketovaleric acid; 4-Oxopentanoic acid; 4-Oxovaleric acid; WLN: QV2V1; NSC 3716; Usaf cz-1; Acidum laevulinicum; PENTANOIC ACID,4-OXO MFC5 H8 O3; 3-Acetylpropionic acid; 4-Oxopentansaeure; Pentanoic acid, 4-oxo; Propionic acid, 3-acetyl-; BRN 0506796; EINECS 204-649-2; beta-Acetylpropionic acid; 4-oxo-pentanoic acid; 123-76-2; Pentanoic acid, 4-oxo-; Laevulic acid; Acetopropionic acid; Levulinic acid; VALERIC ACID, 4-OXO-(LEVULINIC ACID); Levulic acid; Laevulinsaeure; FEMA No. 2627; AIDS-017682; levulinic acid; 4-oxopentanoic acid | C5H8O3 | 116.12 g/mol | CC(=O)CCC(=O)O |
| TCMBANKIN058966 | sialic acid | lactamic acid | C11H19NO9 | 309.27 | CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O |
| TCMBANKIN059041 | 5-(3-buten-1-ynyl)-2,2'-bithienyl-5’-methyl-acetate | 5-(3-buten-1-ynyl)-2,2'-bithienyl-5'-methylacetate | C15H12O2S2 | CC(=O)OCC1=CC=C(S1)C2=CC=C(S2)C#CC=C | |
| TCMBANKIN059230 | isovalericacid | LS-2386; ST5213941; Iva; Butanoic acid , 3-methyl-; Butyric acid, 3-methyl-; Kyselina isovalerova [Czech]; W310212_ALDRICH; Isobutyl formic acid; beta-Methylbutyric acid; 92634-50-9; 503-74-2; CHEBI:28484; WLN: QV1Y1&1; EINECS 207-975-3; 3-Methylbutyrate; isovaleric acid; METHYLBUTANOIC ACID; 4-02-00-00895 (Beilstein Handbook Reference); InChI=1/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7; NSC62783; Isovaleric acid (natural); 3-Methylbuttersaeure; Delphinic acid; 129542_ALDRICH; AI3-24132; NSC 62783; Butanoic acid, 3-methyl-, (R)-; FEMA Number: 3102; 3-methyl-butanoic acid; Acetic acid, isopropyl-; Isovaleriansaeure; 3-Methylbutyric acid; C08262; 3,4-Diisovaleryl adrenaline; HSDB 629; Isovalerianic acid; .beta.-Methylbutyric acid; BRN 1098522; 59850_FLUKA; Isopropylacetic acid; LMFA01020181; Isobutylformic acid; FEMA No. 3102; Isovaleric acid; Butanoic acid, 3-methyl-; W310204_ALDRICH; Isopentanoic acid; Isovalerianic; 35915-22-1; 3-Methylbutanoic acid | C5H10O2 | 102.13 g/mol | CC(C)CC(=O)O |
| TCMBANKIN059557 | triacetonamine | C9H17NO | 155.24 g/mol | CC1(CC(=O)CC(N1)(C)C)C | |
| TCMBANKIN059575 | Sapogenol C | C30H48O2 | 440.7 g/mol | CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C=C1)C)C)C)(C)CO)O)C)C | |
| TCMBANKIN059853 | Fleet-X | C9H12 | 120.19 | CC1=CC(=CC(=C1)C)C | |
| TCMBANKIN059860 | m-xylene | C8H10 | 106.17 g/mol | CC1=CC(=CC=C1)C | |
| TCMBANKIN060045 | Skatol | C9H9N | 131.17 | CC1=CNC2=CC=CC=C12 | |
| TCMBANKIN060181 | azukisaponin v | C48H78O18 | 943.1 g/mol | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O | |
| TCMBANKIN060440 | pulegone | C10H16O | 152.23 g/mol | CC1CCC(=C(C)C)C(=O)C1 | |
| TCMBANKIN060450 | d-menthone | C10H18O | 154.25 g/mol | CC1CCC(C(=O)C1)C(C)C | |
| TCMBANKIN060633 | PPI | C3H6O2 | 74.08 g/mol | CCC(=O)O | |
| TCMBANKIN060679 | stigmasterol | C29H48O | 412.7 g/mol | CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C | |
| TCMBANKIN060713 | Methyl jasmonate | C13H20O3 | 224.3 g/mol | CCC=CCC1C(CCC1=O)CC(=O)OC | |
| TCMBANKIN060732 | 1-methyl-4-ethylbenzene | C9H12 | 120.19 g/mol | CCC1=CC=C(C=C1)C | |
| TCMBANKIN060734 | 3-Ethyltoluene | C9H12 | 120.19 g/mol | CCC1=CC=CC(=C1)C | |
| TCMBANKIN060874 | Ligla; gamma-linolenic acid | C18H30O2 | 278.43 | CCCCCC=CCC=CCC=CCCCCC(=O)O | |
| TCMBANKIN060879 | Linolic acid | C18H32O2 | 280.4 g/mol | CCCCCC=CCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060890 | Amylbenzene | C11H16 | 148.24 g/mol | CCCCCC1=CC=CC=C1 | |
| TCMBANKIN060958 | oleic acid;cis-oleic acid;oleinic acid | C18H34O2 | 282.46 | CCCCCCCCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060959 | Methyl oleate | C19H36O2 | 296.5 g/mol | CCCCCCCCC=CCCCCCCCC(=O)OC | |
| TCMBANKIN060965 | methyl (E)-nonadec-10-enoate | C20H38O2 | 310.5 g/mol | CCCCCCCCC=CCCCCCCCCC(=O)OC | |
| TCMBANKIN060966 | gondoic acid | C20H38O2 | 310.5 g/mol | CCCCCCCCC=CCCCCCCCCCC(=O)O | |
| TCMBANKIN060967 | methyl icos-11-enoate | C21H40O2 | 324.5 g/mol | CCCCCCCCC=CCCCCCCCCCC(=O)OC | |
| TCMBANKIN060996 | UND | C11H24 | 156.31 g/mol | CCCCCCCCCCC | |
| TCMBANKIN061030 | Methyl myristate | C15H30O2 | 242.4 g/mol | CCCCCCCCCCCCCC(=O)OC | |
| TCMBANKIN061036 | methyl pentadecanoate | C16H32O2 | 256.42 | CCCCCCCCCCCCCC(C)C(=O)O | |
| TCMBANKIN061053 | 2-methylcetanol | C17H36O | 256.5 g/mol | CCCCCCCCCCCCCCC(C)CO | |
| TCMBANKIN061086 | Methyl margarate | C18H36O2 | 284.48; 284.5 g/mol | CCCCCCCCCCCCCCCCC(=O)OC | |
| TCMBANKIN061091 | stearic acid | CH3(CH2)16COOH | 284.5 g/mol | CCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061093 | ethyloctadecanoate | C20H40O2 | 312.5 g/mol | CCCCCCCCCCCCCCCCCC(=O)OCC | |
| TCMBANKIN061105 | Eicosanoic acid | C20H40O2 | 312.53 g/mol | CCCCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061106 | Methyl icosanoate | C21H42O2 | 326.56 | CCCCCCCCCCCCCCCCCCCC(=O)OC | |
| TCMBANKIN061113 | methyl henicosanoate | C22H44O2 | 340.58 | CCCCCCCCCCCCCCCCCCCCC(=O)OC | |
| TCMBANKIN061119 | docosanoic acid,methyl ester | C23H46O2 | 354.61 g/mol | CCCCCCCCCCCCCCCCCCCCCC(=O)OC | |
| TCMBANKIN061124 | Methyl tricosanoate;tricosanoicacid,methylester | C24H48O2 | 368.64 | CCCCCCCCCCCCCCCCCCCCCCC(=O)OC | |
| TCMBANKIN061129 | tetracosanoicacid,methylester | C25H50O2 | 382.66 | CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC | |
| TCMBANKIN061201 | Butyl mustard oil | C5H9NS | 115.2 g/mol | CCCCN=C=S | |
| TCMBANKIN061365 | Sinoacutine | (-)-salutaridine; C05179; sinoacutine; (-)-Sinoacutine; 5,6,8,14-Tetradehydro-4-hydroxy-3,6-dimethoxy-17-methyl-morphinan-7-one; 4-Hydroxy-3,6-dimethoxy-17-methyl-5,6,8,14-tetradehydromorphinan-7-one; SCHEMBL563455; 1369-69-3; (+-)-SALUTARIDINE; 7X10PRH74D; Salutaridine; 1936-18-1; 1005309-77-2; BDBM50378615; Morphinan-7-one, 5,6,8,14-tetradehydro-4-hydroxy-3,6-dimethoxy-17-methyl-; GVTRUVGBZQJVTF-YJYMSZOUSA-N; (+)-salutaridine; CHEBI:17225; 716342-86-8; CHEMBL404097; HSDB 8325; Sinoacutin; UNII-7X10PRH74D; 4-hydroxy-3,6-dimethoxy-17-methyl-5,6,8,14-tetradehydromorphinan-7-one; 17039-45-1; Floripavine | C19H21NO4 | 327.37 | CN1CCC23C=C(C(=O)C=C2C1CC4=C3C(=C(C=C4)OC)O)OC |
| TCMBANKIN061588 | 4-hydroxy-3-methoxybenzaldehyde | 3-methoxy-4-hydroxybenzaldehyd;vanillin | C8H8O3 | 152.15 g/mol | COC1=C(C=CC(=C1)C=O)O |
| TCMBANKIN061868 | o-methoxy phenol | 2-methoxyphenol;guaiacol;Guasol;Catechol mono methyl ether; DSSTox_RID_77552; SMR000059155; ANW-13634; Anastil; WLN: QR BO1; 2-Methoxyphenol; Catechol monomethyl ether; Pyrocatechol monomethyl ether; CHEMBL13766; SCHEMBL21626; AI3-05615; DB-024854; 6JKA7MAH9C; Guajacol; Guaiacol (2-Methoxyphenol); 2-Methoxyphenol, 98% 250g; 2-methoxyphenol;; Methyl Catechol; CAS-90-05-1; Guaiacol, Pharmaceutical Secondary Standard; Certified Reference Material; HMS3372N11; Guaiacol [JAN:NF]; 2-Methoxy-Phenol; 3-hydroxy-2-methoxyphenyl; 2-methoxy phenol; SBB058681; a hydroxlyated aryl lignin fragment; NCGC00090827-06; Guaiacol, Vetec(TM) reagent grade, 98%; UNII-6JKA7MAH9C; D00117; 26638-03-9; 7519-EP2295426A1; 7519-EP2316470A2; Guaicol; Guaiacol, oxidation indicator; guaiacol; Creosote (wood); guiacol; SR-01000838056-3; 2-Hydroxyanisole; Creosote, beechwood; DTXSID0023113; 7519-EP2308857A1; CCRIS 6004; o-Hydroxyanisole; AJ-63992; ZINC13512224; SR-01000838056-2; EINECS 232-419-1; RCRA waste number U051; 7519-EP2305636A1; C01502; Beechwood creosote; 2-(methyloxy)phenol; 196981-EP2371803A1; SC-18105; A843426; HMS2233P04; LHGVFZTZFXWLCP-UHFFFAOYSA-N; Guaiacol, natural, >=99%, FG; HMS2089D18; AB00876226_07; Tox21_202990; MFCD00002185; Guaiastil; guaiacol (liquid) extra pure; bmse000436; NCGC00090827-03; CREOSOTE, WOOD; orthomethoxyphenol; AB00876226-06; 7519-EP2305683A1; 2-Methoxyphenol, Catechol monomethyl ether, Pyrocatechol monomethyl ether; NSC3815; Guaiacol [JAN]; methoxy phenol; AK114448; 6-methoxyphenol; Guajakol [Czech]; NCGC00090827-02; ST2410094; FEMA No. 2532; EC 201-964-7; CS-D1347; Methylcatachol; Guaiacol, SAJ first grade, >=98.0%; Creosote [JAN]; 7519-EP2308861A1; JZ3; STL281868; InChI=1/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H; o-Guiacol; HSDB 1979; NCGC00090827-01; SR-01000838056; M0121; 7519-EP2316832A1; DSSTox_CID_3113; o-methoxy-Phenol; Guaiacol (natural); Tox21_400004; Guaiacol, European Pharmacopoeia (EP) Reference Standard; ortho-Guaiacol; Guajakol; Phenol, 2-methoxy-; PS-3252; Guaicolina; ACMC-209784; EBD2205193; NSC-760376; Pyrocatechol monomethyl ether; 7519-EP2314584A1; D02JUW; NSC760376; C15572; AN-17339; 7519-EP2311839A1; Phenol, o-methoxy-; Wood creosote; 2-Methoxyphenol; Creosote; Tox21_111031; 7519-EP2314589A1; AB1001888; ortho-methoxyphenol; CCG-214035; bmse010027; Creosote (wood tar); AC1Q46B5; I01-6054; 1-Hydroxy-2-methoxybenzene; o--methoxyphenol; TR-028311; LS-1906; NCGC00090827-07; 7519-EP2316837A1; 7519-EP2316833A1; EINECS 201-964-7; BDBM50240369; 196981-EP2269977A2; KS-00000KSX; 1990/5/1; Guajol; AC1L19AA; ST50214385; 7519-EP2295427A1; o-Guaiacol; CAS-8021-39-4; Guasol; HSDB 4241; MLS001055375; NCGC00090827-04; 8021-39-4; RTR-028311; ghl.PD_Mitscher_leg0.900; DSSTox_RID_76880; Pyroguaiac acid; MolPort-000-871-969; NCGC00090827-05; UNII-3JYG22FD73; Beechwood creosote (Fagus spp.); Creodon (TN); Pharmakon1600-01506165; Hydroxyanisole; Nat.Guaiacol; F2173-0425; 2-methoxyl-4-vinylphenol; O-Methyl catechol; o-Methoxyphenol; Creodon; CTK1A4914; KB-30331; Guaiacol (JAN); NCGC00258688-01; Pyrocatechol methyl ester; DB11359; 7519-EP2311821A1; Methylcatechol; AKOS000118831; Guaiacol, puriss., 99%; 3JYG22FD73; NSC 3815; NCGC00260535-01; Catechol monomethyl ether; STR03604; Guaiacol, United States Pharmacopeia (USP) Reference Standard; HMS3715E11; 1- hydroxy-2-methoxybenzene; KSC204S1J; 7519-EP2292227A2; DSSTox_GSID_24853; 196981-EP2377843A1; FT-0626815; NSC-3815; MCULE-5627336368; Q-100002; CCRIS 2943; 2-methoxyphenol (guaiacol); CHEBI:28591; DSSTox_GSID_23113; Phenol, methoxy-; Tox21_201136;HSDB 4241; 90-05-1; Anastil; 8021-39-4; Guaicolina; ZINC00001521; WLN: QR BO1; ghl.PD_Mitscher_leg0.900; Pyrocatechol monomethyl ether; 50880_FLUKA; AI3-05615; Pyroguaiac acid; Guaiastil; Methoxyphenol; AIDS-107096; NCGC00090827-03; CREOSOTE, WOOD; Guajacol; Creodon (TN); NSC3815; Guaiacol [JAN]; C15572; Creodon; o-Methoxyphenol; 2-Methoxyphenol; Guajakol [Czech]; O-Methyl catechol; Phenol, o-methoxy-; NCGC00090827-02; Guaiacol (JAN); W253200_ALDRICH; D00117; FEMA No. 2532; Pyrocatechol methyl ester; Methylcatechol; 26638-03-9; Guaicol; CPD-400; NSC 3815; InChI=1/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H; guaiacol; NCGC00090827-01; Catechol monomethyl ether; G5502_SIGMA; ST5214385; 1-Hydroxy-2-methoxybenzene; 2-Hydroxyanisole; AIDS107096; o-Hydroxyanisole; Guaiacol (natural); EINECS 201-964-7; Phenol, 2-methoxy-; Guajol; CCRIS 2943; C01502; o-Guaiacol; CHEBI:28591; Phenol, methoxy- | C7H8O2 | 124.14 g/mol | COC1=CC=CC=C1O |
| TCMBANKIN061942 | 3-methylthiopropyl isothiocyanate | 3-Methylthiopropyl isothiocyanate, >=98%, FG; 1-Isothiocyanato-3-(methylthio)-Propane; CAS-505-79-3; 1-Isothiocyanato-3-(methylthio)propane; CJ-30437; KB-27647; I09-1142; M2027; 1-isothiocyanato-3-methylsulfanyl-propane; 3-(methylthio)propylisothiocyanate; CHEMBL3186484; AC1L1WY7; 3-Methylthiopropyl isothiocyanate; Propane,1-isothiocyanato-3-(methylthio)-; FEMA 3312; ACMC-209knx; A828183; UNII-YTT13BN94Z; CTK4J2815; YTT13BN94Z; 3-Methyl thiopropyl isothiocyanate; FEMA No. 3312; SBB066566; TRA-0184764; 1-Isothiocyanato-3-(methylsulfanyl)propane; W-105949; PROPANE, 1-ISOTHIOCYANATO-3-(METHYLTHIO)-; DSSTox_GSID_47132; Isothiocyanic acid, 3-(methylthio)propyl ester; ZINC1850039; 3-(Methylthio)propyl isothiocyanate; LS-2964; 1-Isothiocyanato-3-(methylsulfanyl)propane #; 3-methylthiopropanisothiocyanate; 3-(methylthio) propyl isothiocyanate; BDBM50104731; DSSTox_CID_27132; BP-12929; AN-45414; VZ35159; Iberverin; 1-isothiocyanato-3-methylsulfanylpropane; TC-119796; NCGC00256650-01; LDKSCZJUIURGMW-UHFFFAOYSA-N; 3-Methylmercaptopropyl isothiocyanate; Isothiocyanic Acid 3-(Methylthio)propyl Ester; Ibervirin; AKOS000120740; U302; radish isothiocyanate; DTXSID3047132 | C5H9NS2 | 147.3 g/mol | CSCCCN=C=S |
植物对应的疾病
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植物对应的靶点
| 靶点ID | 基因名 | 基因别名 | 描述 | 染色体位置 | Map_Location | 基因类型 |
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