Plant Summary
Plant Information
TCMBank_ID: | TCMBANKHE004244 |
ID: | TCMBANKHE004244 |
植物拉丁名: |
|
功能与主治: | 1. To nourish blood and consolidate the yin; 2. To pacify the liver and stop pain; 3. To soothe liver yang/Headache and dizziness, pain in rib-side, abdominal pain, spasm in limbs, anemia with yellow complexion, menstrual disorder, profuse menstruation, spontaneous sweating, night sweating. |
药用植物名: | 白芍 |
药用部位: | root |
药味: | Minor cold; Sour; Bitter |
经络: | Spleen; Liver |
临床特征: | 1. Dilating the coronary artery and blood vessels of hind legs in dogs. 2. Lowering blood pressure transiently. 3. Inhibiting the intestines in rabbits in vitro. 4. Its component paeoniflorin inhibits the central nervous systems. |
治疗类型: | 补血药 |
TCM_ID_id: | 3997 |
SymMap_id: | 21 |
TCMSP_id: | 35 |
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 |
|---|
| TCMBANKIN001380 | octadec-9-ene | (E)-9-octadecene; 7206-25-9; 9-Octadecene, (E)-; (9E)-9-Octadecene; trans-octadec-9-ene; trans-9-octadecene; (E)-octadec-9-ene; CHEBI:37605; (9E)-octadec-9-ene; CHEBI:37607 | C18H36 | 252.48 | CCCCCCCCC=CCCCCCCCC |
| TCMBANKIN001959 | oxyphyllacinol | 4-(3-hydroxy-7-phenylheptyl)-2-methoxyphenol; AC1NSZCZ | C20H26O3 | 314.46 | COC1=C(C=CC(=C1)CCC(CCCCC2=CC=CC=C2)O)O |
| TCMBANKIN002215 | geranyl propionate | Geranyl n-propanoate; (2E)-3,7-Dimethyl-2,6-octadienyl propionate; 27751-90-2; Geranyl propionate (natural); Geranyl propionate, natural; DTXSID8051540; SCHEMBL356537; BYCHQEILESTMQU-FMIVXFBMSA-N; 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-propanoate, (2E)-; WE(8:2(2E,6E)(3Me,7Me)/3:0); FEMA No. 2517; Geranylpropionate; SCHEMBL356536; 6124AF; DSSTox_GSID_51540; Geranyl propionate, >95%, FCC, FG; Geranyl propanoate; AC1Q65TJ; EINECS 203-344-1; DB-040663; Geranyl propionate; W251712_ALDRICH; W251704_ALDRICH; 3,7-dimethylocta-2,6-dienyl propanoate; propanoic acid 3,7-dimethylocta-2,6-dienyl ester; Tox21_303994; CAS-105-90-8; Geranyl n-propionate; geranyl-n-propanoate; Trans-3,7-dimethyl-octa-2,6-dien-1-yl propanoate; 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-propanoate; (E)-3,7-Dimethyl-2,6-octadienyl propionate; LMFA07010614; NSC 46138; 2,6-OCTADIEN-1-OL, 3,7-DIMETHYL-, PROPANOATE, (E)-; NSC46138; DSSTox_CID_30092; GERANYL PROPIONATE FCC; 3,7-Dimethyl-2,6-octadienyl propionate, (E)-; propanoic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester; 3,6-octadien-1-yl, propanoate; AC1NS88V; NCGC00357214-01; AKOS024319239; Propionic acid, geranyl ester; ST5410143; (E)-3,7-DIMETHYL-2,6-OCTADIEN-1-YL PROPIONATE; NSC-46138; LS-2773; J-525003; UNII-U9F1RPB24G; 3,7-dimethylocta-2,6-dien-1-yl propionate; propionic acid 3,7-dimethylocta-2,6-dienyl ester; (E)-3,7-Dimethyl-2,6-octadien-1-ol propionate; [(2E)-3,7-dimethylocta-2,6-dienyl] propanoate; 3,7-dimethylocta-2,6-dien-1-yl propanoate; ZINC1677808; 2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (2E)-; propionic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester; (E)-3,7-Dimethyl-2,6-octadien-1-ol propanoate; 2, 3,7-dimethyl-, propanoate; Propionic acid 3,7-dimethyl-2,6-octadienyl ester; 3,7-Dimethyl-2,6-octadien-1-yl, propanoate; Propionic acid, geranyl ester (6CI); CJ-27449; (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate; 2,6-Octadien-1-ol, 3,7-dimethyl-, propionate, (E)-; Geranyl propionate, natural, >=95%, FG; U9F1RPB24G; J-001499; 3,7-Dimethyl-2,6-octadien-1-yl propanoate, trans-; 2,6-Octadien-1-ol, 3,7-dimethyl-, propionate, (E)- (8CI); trans-3,7-Dimethyl-2,6-Octadienyl propionate; AI3-24355; 105-90-8; 2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate; 3,7-Dimethyl-2,6-octadienyl propanoate, (E)-; trans-3,7-Dimethyl-2,6-octadien-1-yl propionate | C13H22O2 | 210.31 | CCC(=O)OCC=C(C)CCC=C(C)C |
| TCMBANKIN003892 | cis-5-Octen-1-ol | 64275-73-6; EINECS 264-764-9; W372218_ALDRICH; (Z)-Oct-5-en-1-ol; FEMA No. 3722; 5-Octen-1-ol, (Z)-; 5-Octen-1-ol, cis-; ZINC05225126; 5-Octen-1-ol, (5Z)- | C8H16O | 128.21 | CCC=CCCCCO |
| TCMBANKIN004067 | propyl (2R)-2-hydroxypropanoate | (2R)-2-hydroxypropionic acid propyl ester; (2R)-2-hydroxypropanoic acid propyl ester | C6H12O3 | 132.16 | |
| TCMBANKIN004209 | 1,2,3,6-tetra-O-galloylglucose | 1,2,3,6-tetra-O-galloyl-β-D-glucose | 788.62 | ||
| TCMBANKIN005180 | Dibutylphenol | 2,6-ditert-butylphenol; Di-tert-butylphenol; 2,6-Bis(1,1-dimethylethyl)phenol; Phenol, 2,6-bis(1,1-dimethylethyl)-; ZINC01681254; EINECS 204-884-0; NSC49175; ST5214492; 128-39-2; Ethyl AN 701; 2,6-Di-tert-butylphenol; 2,6 Di-tert-butylphenol; D48400_ALDRICH; NSC 49175; Phenol, 2,6-di-tert-butyl-; NCGC00164272-01; Hitec 4701; Ethanox 701; AN 701; CCRIS 5828; InChI=1/C14H22O/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6/h7-9,15H,1-6H; Ethyl 701; 2,6-Bis(tert-butyl)phenol; Isonox 103; 50356-17-7; 1,3-DITERT.BUTYL,2-HYDROXY-BENZENE; 2,6-Di-t-butylphenol; AI3-26293; HSDB 5616 | C14H22O | 206.32 | CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)O |
| TCMBANKIN005553 | 2 - methyl - 3 - (2 - propenyl) - phenol | 148.22 | |||
| TCMBANKIN005852 | [(3S,3aR,6S,7aR)-6-hydroxy-6-methyl-2,5-dioxo-3a,4,7,7a-tetrahydro-3H-benzofuran-3-yl]methyl benzoate | benzoic acid [(3S,3aR,6S,7aR)-6-hydroxy-6-methyl-2,5-dioxo-3a,4,7,7a-tetrahydro-3H-benzofuran-3-yl]methyl ester; [(3S,3aR,6S,7aR)-6-hydroxy-6-methyl-2,5-dioxo-3a,4,7,7a-tetrahydro-3H-1-benzofuran-3-yl]methyl benzoate; benzoic acid [(3S,3aR,6S,7aR)-6-hydroxy-2,5-diketo-6-methyl-3a,4,7,7a-tetrahydro-3H-benzofuran-3-yl]methyl ester | C17H18O6 | 318.32 | CC1(CC2C(CC1=O)C(C(=O)O2)COC(=O)C3=CC=CC=C3)O |
| TCMBANKIN005970 | nonyl cyclopropane | nonylcyclopropane | C12H24 | 168.32 g/mol | CCCCCCCCCC1CC1 |
| TCMBANKIN006357 | 4-chloro-N-[1-methyl-5-[[1-methyl-5-[[1-methyl-5-(2-morpholinoethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-5-[2-(2-pyridyl)ethylamino]isothiazole-3-carboxamide | 4-chloro-N-[1-methyl-5-[[[1-methyl-5-[[[1-methyl-5-[(2-morpholinoethylamino)-oxomethyl]-3-pyrrolyl]amino]-oxomethyl]-3-pyrrolyl]amino]-oxomethyl]-3-pyrrolyl]-5-[2-(2-pyridyl)ethylamino]-3-isothiazolecarboxamide; 4-chloro-N-[1-methyl-5-[[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-5-(2-pyridin-2-ylethylamino)-1,2-thiazole-3-carboxamide; 3-Isothiazolecarboxamide, 4-chloro-N-[1-methyl-5-[[[1-methyl-5-[[[1-methyl-5-[[[2-(4-morpholinyl)ethyl]amino]carbonyl]-1H-pyrrol-3-yl]amino]carbonyl]-1H-pyrrol-3-yl]amino]carbonyl]-1H-pyrrol-3-yl]-5-[[2-(2-pyridinyl)ethyl]amino]-; AIDS-111720; AIDS111720 | C24H28O4 | 380.48 | CN1C=C(C=C1C(=O)NCCN2CCOCC2)NC(=O)C3=CC(=CN3C)NC(=O)C4=CC(=CN4C)NC(=O)C5=NSC(=C5Cl)NCCC6=CC=CC=N6 |
| TCMBANKIN007792 | 3β-hydroxy-oleana-11,13(18)-dien-28-oic acid? | 454.76 | |||
| TCMBANKIN008439 | albiflorin_qt | Albiflorin_qt | C23H28O11 | 480.46 | |
| TCMBANKIN008489 | nonyl ethyl ether | 3-ethoxynonane; ethyl 1-ethylheptyl ether; AC1NSZ60 | C11H24O | 172.31 g/mol | CCCCCCCCCOCC |
| TCMBANKIN009217 | 10-undecenoicacid | AKOS028113279; 10-Undecenoic acid, sodium salt; 10-Undecenoic, sodium salt; 3398-33-2; 5895AF; Undecylenic Acid Sodium Salt; V50TG7E11W; DTXSID4037039; NSC2836; 10-undecenoic acid; SCHEMBL78501; Sodium undecylenate, AldrichCPR; UNII-V50TG7E11W; Sodium 10-undecenoate; CTK8G3695; EINECS 222-264-8; J-019407; C11H19O2.Na; SODIUM UNDECYLENATE; Potassium Undec-10-enoate; Sodium undec-10-enoate; AI3-19721 | C11H19NaO2 | 206.26 g/mol | C=CCCCCCCCCC(=O)[O-].[Na+] |
| TCMBANKIN010471 | paeoniflorin_qt | galloylpaeoniflorin_qt 2; paeonioflorin_qt; benzoyl paeoniflorin_qt 2; isopaeoniflorin_qt; ?paeonioflorin_qt | C23H28O11 | 480.46 | |
| TCMBANKIN011359 | (3R,3aR,6S,7aR)-6-hydroxy-3,6-dimethyl-3a,4,7,7a-tetrahydro-3H-benzofuran-2,5-dione | (3R,3aR,6S,7aR)-6-hydroxy-3,6-dimethyl-3a,4,7,7a-tetrahydro-3H-1-benzofuran-2,5-dione; (3R,3aR,6S,7aR)-6-hydroxy-3,6-dimethyl-3a,4,7,7a-tetrahydro-3H-benzofuran-2,5-quinone | C10H14O4 | 198.22 | |
| TCMBANKIN011861 | benzoyl paeoniflorin | BDBM50378694; benzoylpaeoniflorin; CHEMBL1077641; 38642-49-8; Benzoylpaeoniflorin | C30H32O12 | 584.57 | CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=CC=C5)OC6C(C(C(C(O6)COC(=O)C7=CC=CC=C7)O)O)O)O |
| TCMBANKIN012255 | albiflorin R1_qt | 318.35 | |||
| TCMBANKIN012281 | methyl nonadecanoate | Nonadecanoic acid methylester; 6583AF; MFCD00009011; 67FQ8VV2L3; AI3-36454; EINECS 217-056-9; RTR-007644; C-28213; UNII-67FQ8VV2L3; 74208_FLUKA; Methyl nonadecanoate, >=98% (GC); DTXSID40169524; CHEBI:87758; CTK3J1974; E(R)(3/4)AIeEa(1/4)xo yen; A25CCD7A-EA11-4124-B88C-A168A5582F47; TR-007644; Methyl nonadecan-1-oate; MolPort-003-938-831; ZINC86046710; nonadecanoic acid methyl ester; Nonadecanoic acid methyl; FT-0633802; SCHEMBL109331; 1731-94-8; N0460; N5377_SIGMA; ANW-22632; J-010888; Nonadecanoic acid,methyl ester; CS-W004262; DB-043929; 1n-Nonadecanoic acid methyl ester; Nonadecanoic acid methyl ester 10 microg/mL in Methanol; Methyl nonadecanoate, analytical standard; methylnonadecanoate; KS-0000171U; METHYL NONADECANOATE; AKOS015903908; CC-30779; I14-18432; Nonadecanoic acid methyl ester; BDXAHSJUDUZLDU-UHFFFAOYSA-N; Methyl nonadecanoate, puriss., >=98.5% (GC); n-Nonadecanoic acid methyl ester; Nonadecanoic acid, methyl ester; TRA0036053; ACMC-209e62; AC1L2696 | C20H40O2 | 312.53 | CCCCCCCCCCCCCCCCCCC(=O)OC |
| TCMBANKIN012548 | 2,3-o-(s)-hexahydroxydiphenoyl-d-gluco-pyranose | C20H18O14 | 482.3 g/mol | C1=C2C(=C(C(=C1O)O)O)C3=C(C(=C(C=C3C(=O)OC4C(C(C(OC4O)CO)O)OC2=O)O)O)O | |
| TCMBANKIN012798 | 1-methyl-2-[(z)-6-pentadecenyl]-4(1h)-quinolone | AC1O3DPC; 1-methyl-2-pentadec-6-enylquinolin-4-one; 1-methyl-2-pentadec-6-enyl-4( 1h)-quinolone | C25H37NO | 367.6 g/mol | CCCCCCCCC=CCCCCCC1=CC(=O)C2=CC=CC=C2N1C |
| TCMBANKIN012889 | n-methylephedrine | (+)-Methylephedrine; (+)-(1S,2R)-2-Dimethylamino-1-phenylpropanol; (1S,2R)-(+)-N-Methylephedrine, 99%; AKOS025405530; (1S,2R)-2-(dimethylamino)-1-phenylpropan-1-ol; (1S,2R)-(+)-N-Methylephedrine; AC1Q59F4; (1S,2R)-(+)-2-Dimethylamino-1-phenylpropanol; J-500060; SCHEMBL2712293; FMCGSUUBYTWNDP-MWLCHTKSSA-N; Methylephedrine, D-; Methylephedrine, (+)-; (+)-N-Methylephedrine; UNII-VP306Z33KI; AK187830; FCH1122028; Benzenemethanol, alpha-((1R)-1-(dimethylamino)ethyl)-, (alphaS)-; ST50405724; 1201-56-5; (1S,2R)-N-Methylephedrine; AC1L2RZ5; (1S,2R)-2-Dimethylamino-1-phenylpropanol; UNII-SHS9PGQ2LS component FMCGSUUBYTWNDP-MWLCHTKSSA-N; L-(+)-Erythro-N-methylephedrine; D-N-Methylephedrine; ZINC3643826; VP306Z33KI; N-Methylephedrine D-form [MI]; 42151-56-4; C-25564; I14-45266 | C11H17NO | 179.26 g/mol | CC(C(C1=CC=CC=C1)O)N(C)C |
| TCMBANKIN013930 | neocapillene | Neocapillene; 1-phenyl-1,3-hexadiyne; hexa-1,3-diynylbenzene; 1,3-hexadiynylbenzene; AC1NSZ01; hexa-1,3-diynyl-benzene; 10508-66-4 | C12H10 | 154.21 | CCC#CC#CC1=CC=CC=C1 |
| TCMBANKIN014774 | methyl oenanthate | ||||
| TCMBANKIN015262 | Acetyl oxide | InChI=1/C4H6O3/c1-3(5)7-4(2)6/h1-2H; silane, acetyltrimethyl-; Caswell No. 003A; acetic acid anhydride; Acetic oxide; Octowy bezwodnik [Polish]; EPA Pesticide Chemical Code 044007; Acetyl acetate; 108-24-7; Acetic acid, anhydride; Anhydride acetique [French]; ethanoic anhydrate; 4-02-00-00386 (Beilstein Handbook Reference); 242845_SIAL; anhydride acetique; Acetic anhydride [UN1715] [Corrosive]; Anidride acetica [Italian]; Essigsaeureanhydrid; BRN 0385737; Ethanoic anhydride; Acetanhydride; 320102_SIAL; 33214_RIEDEL; NCGC00091802-01; UN1715; A6404_SIAL; CCRIS 688; 539996_SIAL; 110043_ALDRICH; 91204_FLUKA; ST5214434; HSDB 233; Acetyl anhydride; Azijnzuuranhydride [Dutch]; ACETIC ANHYDRIDE; Essigsaeureanhydrid [German]; Anhydrid kyseliny octove [Czech]; Acetyl ether; CHEBI:36610; EINECS 203-564-8 | C4H6O3 | 102.09 | CC(=O)OC(=O)C |
| TCMBANKIN015427 | (3S,3aR,5S,6S,7aR)-5,6-dihydroxy-3,6-dimethyl-3,3a,4,5,7,7a-hexahydrobenzofuran-2-one | (3S,3aR,5S,6S,7aR)-5,6-dihydroxy-3,6-dimethyl-3,3a,4,5,7,7a-hexahydro-1-benzofuran-2-one | 200.26 | ||
| TCMBANKIN016573 | neobyakangelico l | CHEMBL1699927; 9-[(2-HYDROXY-3-METHYLBUT-3-EN-1-YL)OXY]-4-METHOXYFURO[3,2-G]CHROMEN-7-ONE; UBAMGTKSOKGECF-UHFFFAOYSA-N; 35214-82-5; neobyakangelicol; BG01028344; 9-(2-hydroxy-3-methylbut-3-enoxy)-4-methoxyfuro[3,2-g]chromen-7-one; AKOS032948617; 9-(2-Hydroxy-3-methyl-3-butenyloxy)-4-methoxyfuro[3,2-g]chromen-7-one; HMS2268M18; CHEBI:80942; 55806-41-2; W1295; Neobyakangelicin; Neobyakangelicol; 9-(2-Hydroxy-3-methyl-3-butenyloxy)-4-methoxyfuro(3,2-g)chromen-7-one; AC1LDCJO; C17126; 7H-Furo[3,2-g][1]benzopyran-7-one,9-[(2- hydroxy-3-methyl-3-butenyl)oxy]-4- methoxy-,(-)-; MLS002472933; SMR001397042; 9-[(2-Hydroxy-3-methyl-3-butenyl)oxy]-4-methoxy-7H-furo[3,2-g]chromen-7-one # | C17H16O6 | 316.31 | CC(=C)C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O |
| TCMBANKIN016685 | 11alpha,12alpha-epoxy-3beta-23-dihydroxy-30-norolean-20-en-28,12beta-olide | 470.71 | |||
| TCMBANKIN016966 | 1,4,7-tridecatriene | (4E,7E)-trideca-1,4,7-triene; AC1NT13L | CCCCCC=CCC=CCC=C | ||
| TCMBANKIN017818 | 8-NONENOIC ACID | LMFA01030028; 8-nonenoic acid; 8-nonenoicacid; non-8-enoic acid; 8-nonylenic acid; 31642-67-8 | C9H16O2 | 156.22 | C=CCCCCCCC(=O)O |
| TCMBANKIN019290 | 7-Demethylsuberosin | BEN267; 7-demethylsuberosin; UNII-SDM71QIW25; 7-hydroxy-6-prenyl-1-benzopyran-2-one; 9336AF; CHEBI:69042; CHEMBL502689; DTXSID90175695; 21422-04-8; SDM71QIW25; MolPort-001-742-280; AKOS028111784; Demethylsuberosin; 7-hydroxy-6-(3-methylbut-2-enyl)coumarin; MCULE-4721059845; ZINC12153561; 7-hydroxy-6-(3-methylbut-2-enyl)-2-chromenone; 2H-1-Benzopyran-2-one,7-hydroxy-6-(3-methyl-2-buten-1-yl)-; 6-(3,3-dimethylallyl)-7-hydroxycoumarin; SCHEMBL4773171; C18083; MEGxp0_001461; 7-hydroxy-6-(3-methylbut-2-en-1-yl)-2H-chromen-2-one; 7-demethylsuberosine; NP-008276; BDBM50292574; AC1NSUCZ; 7-hydroxy-6-(3-methylbut-2-enyl)chromen-2-one; 7-hydroxy-6-prenylcoumarin; 2H-1-Benzopyran-2-one, 7-hydroxy-6-(3-methyl-2-butenyl)-; 2H-1-Benzopyran-2-one, 7-hydroxy-6-(3-methyl-2-buten-1-yl)- | C14H14O3 | 230.26 | CC(=CCC1=C(C=C2C(=C1)C=CC(=O)O2)O)C |
| TCMBANKIN020102 | (Z)-(1S,5R)-beta-pinen-10-yl-beta-vicianoside_qt | (Z)-(1S,5R)-beta-Pinen-10-yl-beta-vicianoside_qt | 152.26 | ||
| TCMBANKIN020491 | ethylleptol b | J3.623.547K; 6-(1-ethoxyethyl)-5,7-dimethoxy-2,2-dimethyl-2H-chromene; 206200-57-9; AC1NSVB6; Leptol D; 6-(1-ethoxyethyl)-5,7-dimethoxy-2,2-dimethylchromene | C17H24O4 | 292.4 g/mol | CCOC(C)C1=C(C=C2C(=C1OC)C=CC(O2)(C)C)OC |
| TCMBANKIN020726 | phellatin | Phellatin; LMPK12111709 | C26H30O12 | 534.5 g/mol | CC(C)(CCC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O)O |
| TCMBANKIN021713 | 13-Methyl pentadecanoic acid | 20121-96-4; Anteisohexa-decanoic acid; C15:0-13-methyl; Anteisopalmitic acid; 13-methyl-pentadecanoic acid; CTK8H4972; 13-methyl pentadecanoic acid; LMFA01020192; 13-methyl pentadecanoicacid; ACM20121964; CHEBI:131414; SCHEMBL1476973; AC1L3TC5; Pentadecanoic acid, 13-methyl-; 13-methylpentadecanoic acid | C16H32O2 | 256.42 | CCC(C)CCCCCCCCCCCC(=O)O |
| TCMBANKIN021859 | exoticin | 3,5,6,7,8-Pentamethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one; Flavone, 3,3',4',5,5',6,7,8-octamethoxy-; AKOS032948549; MolPort-009-015-209; AC1L8X07; NSC-684432; ZINC1649869; XOMNGQLSQXRGSF-UHFFFAOYSA-N; NSC684432; 3,5,6,7,8,3',4',5'-octamethoxyflavone; 4CN-1721; C23H26O10; SCHEMBL8418523; Exoticin; 4H-1-Benzopyran-4-one, 3,5,6,7,8-pentamethoxy-2-(3,4,5-trimethoxyphenyl)-; 3,5,6,7,8-pentamethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one; AK-693/21164005; CTK8D0307; LMPK12113370; W1669; 3,5,6,7,8-Pentamethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one #; BG01750361; 13364-94-8 | C23H26O10 | 462.4 g/mol | COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC |
| TCMBANKIN021985 | 24253-30-3 | hex-5-en-3-one; 5-Hexen-3-one | C6H10O | 98.14 | CCC(=O)CC=C |
| TCMBANKIN023012 | Pyrethrin II | (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid [(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dienyl]-1-cyclopent-2-enyl] ester; CHEBI:27474; [(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dienyl]-1-cyclopent-2-enyl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate; pyrethrinII; C09894; ZINC3875843; AC1O5YFK; [(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dienyl]-1-cyclopent-2-enyl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxo-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate; (1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dien-1-yl]cyclopent-2-en-1-yl (1R,3R)-3-[(1E)-3-methoxy-2-methyl-3-oxoprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate; (1R,3R)-3-[(E)-3-keto-3-methoxy-2-methyl-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylic acid [(1S)-4-keto-2-methyl-3-[(2Z)-penta-2,4-dienyl]-1-cyclopent-2-enyl] ester; 121-29-9; pyrethrin ii; [(1S)-2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R,3R)-3-[(Z)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate | C22H28O5 | 372.45 | CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C(=O)OC)CC=CC=C |
| TCMBANKIN023663 | Methylenetanshinquinone | Tanshinquinone, methylene-; 1-Methyl-6-methylene-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione; 1-methyl-6-methylidene-8,9-dihydro-7H-naphtho[8,7-g][1]benzoxole-10,11-dione; 1-methyl-6-methylene-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-quinone; 67656-29-5; Phenanthro(1,2-b)furan-10,11-dione, 6,7,8,9-tetrahydro-1-methyl-6-methylene-; methylene tanshinquinone; Methylene tanshinquinone; 1-methyl-6-methylene-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-dione; methylenetanshinquinone | C18H14O3 | 278.3 | CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4=C |
| TCMBANKIN023667 | 4'-O-methylbavachalcone | C22H24O4 | 352.4 g/mol | CC(=CCC1=CC(=C(C=C1OC)O)C(=O)C=CC2=CC=C(C=C2)OC)C | |
| TCMBANKIN025248 | paeonoside | 20309-70-0; Paeonoside; kaempferol-3,7-di-O-beta-D-glucoside | C27H30O16 | 610.52 | CC(=O)C1=C(C=C(C=C1)OC)OC2C(C(C(C(O2)CO)O)O)O |
| TCMBANKIN025312 | tridecanoicacid | ACMC-209nix; D06YGT; DSSTox_GSID_21684; Tridecylate; CC-35306; 4-02-00-01117 (Beilstein Handbook Reference); NSC 25955; Tridecanoic acid, technical grade, 90%; C10-16 fatty acids; CTK1H1792; NCGC00248684-01; n-Tridecoate; n-Tridecanoic acid; NCIOpen2_003250; MFCD00002741; WLN: QV12; DSSTox_RID_76282; SZHOJFHSIKHZHA-UHFFFAOYSA-N; NSC25955; ZINC1628119; tridecoic acid; UNII-19936LIY2V; dodecylcarboxylic acid; 19936LIY2V; (S)-2-Aminotridecanoate; C-33591; n-Tridecanoate; NSC-25955; C13:0; (C10-C16)Alkylcarboxylic acid; 50354-80-8; AK126530; NSC69131; SCHEMBL22778; 638-53-9; KB-261156; 68002-90-4; Fatty acids, C10-16; (C10-C16) Carboxylic acid; tridecansäure; C17076; A834559; Tridecanoic acid, 98%; TL8004509; Medium-chain fatty acids, C10-16; AKOS009156483; NSC 69131; CAS-638-53-9; SCHEMBL1686771; tridecanoic acid (tridecylic acid); TR-021946; AX8155143; EINECS 211-341-1; 6131AF; AN-20449; LMFA01010013; tridecanoic acid; CHEMBL107874; DTXSID4021684; CDAA-N-13-A; BCE7320D-E579-415F-96F0-658E54E16CF0; n-Tridecoic acid; Tridecanoic acid, >=98%; LS-157146; Tridecylic acid; DSSTox_CID_1684; FT-0653520; SBB069518; MolPort-001-780-047; CS-D1510; Tridecanoic acid anion; Carboxylic acids, C10-16; S14-1033; NCGC00258091-01; NSC-69131; RTR-021946; EINECS 268-105-6; Tridecanoic acid, analytical standard; ANW-34759; AI3-04166; TRIDECANOIC ACID; Tox21_200537; CHEBI:45919; TRA0024554; BRN 0508317; C12-14 acid; AC1L1ZSI; DB02448 | C13H26O2 | 214.34 g/mol | CCCCCCCCCCCCC(=O)O |
| TCMBANKIN025358 | benzoic acid | Benzoic acid, 2-[(carboxymethyl)amino]-4-chloro-; 2-[(carboxymethyl)amino]-4-chlorobenzoic acid; DTXSID70455462; BG00311790; AC-17987; AX8062950; 2-carboxymethylamino-4-chlorobenzoic acid; KB-223858; AK140629; 99282-79-8; benzoicacid; CTK5I0315; 2-(Carboxymethyl-amino)-4-chloro-; AKOS015963713; SCHEMBL3236365; 2-(carboxymethylamino)-4-chlorobenzoic acid; benzoic acid ; 2-(CARBOXYMETHYL-AMINO)-4-CHLORO-BENZOIC ACID; AJ-79604; 2-((Carboxymethyl)amino)-4-chlorobenzoic acid; UDXGKLGUAJLLCJ-UHFFFAOYSA-N; ZINC21988796 | C7H6O2 | 122.12 | C1=CC(=C(C=C1Cl)NCC(=O)O)C(=O)O |
| TCMBANKIN025976 | paeonilactone a | (3R)-3aalpha,6,7,7aalpha-Tetrahydro-6alpha-hydroxy-3alpha,6-dimethylbenzofuran-2,5(3H,4H)-dione | C10H14O4 | 198.22 g/mol | CC1C2CC(=O)C(CC2OC1=O)(C)O |
| TCMBANKIN027176 | pachycarin a | 2-(3,4-dimethoxyphenyl)-3-methoxyfuro[2,3-h]chromen-4-one; AC1NSZD8 | COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C4=C(C=C3)OC=C4)OC)OC | ||
| TCMBANKIN027299 | (3aR,7R,7aS)-7-hydroxy-2,3,3a,6,7,7a-hexahydro-1H-indene-4-carbaldehyde | (3aR,7R,7aS)-7-hydroxy-2,3,3a,6,7,7a-hexahydro-1H-indene-4-carboxaldehyde | 166.24 | ||
| TCMBANKIN028058 | (z)-(1s,5r)-beta-pinen-1-oxy-beta-vicianoside | CC1(C2CCC(=COC3C(C(C(C(O3)COC4C(C(C(CO4)O)O)O)O)O)O)C1C2)C | |||
| TCMBANKIN028162 | pyrethrin i | 2,2-Dimethyl-3alpha-(2-methyl-1-propenyl)cyclopropane-1beta-carboxylic acid (R)-1-methyl-2-(2,4-pentadienyl)-3-oxocyclopentene-5-yl ester; ZINC14684102 | C21H28O3 | 328.4 g/mol | CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=CC=C |
| TCMBANKIN029173 | 3β-hydroxy-11-oxo-olean-12-en-28-oic acid | 470.76 | |||
| TCMBANKIN029663 | Exaltolide | AK103359; UNII-OK17S3S98K; Pentadecanolide, 98%; Muskalactone; Oxacyclohexadecan-2-one, 9CI, 8CI; DSSTox_CID_24359; OK17S3S98K; Oxacyclohexadecan-2-one; 1, 15-Pentadecanolide; FT-0624246; ZINC4023520; Thibetolide; Pentadecanolide; STOCK1N-01825; Pentadecanoic acid, 15-hydroxy-, laquo Xiraquo -lactone; SCHEMBL114310; Cyclopentadecanolide; Jsp000558; 1,15-Pentadecanolide; EC 203-354-6; FEMA 2840; 15-Pentadecanolide; DTXSID6044359; PENTADECALACTONE; 16-oxacyclohexadecan-1-one; Pentadecanolactone; Tox21_301123; 1,15 -pentadecanolide; NSC36763; AJ-47717; Muskolactone; FKUPPRZPSYCDRS-UHFFFAOYSA-N; DSSTox_RID_80167; NSC 36763; ANW-64867; ST50330570; MCULE-2237516421; omega-Pentadecalactone; MolPort-002-508-812; MFCD00039667; 81031-90-5; NCGC00255022-01; exaltolide; J-001527; KB-259122; AC1Q6HS8; CAS-106-02-5; RT-000456; ST2419763; 2-oxacyclohexadecan-1-one; Cyclopentadecanolactone; 1-oxacyclohexadecan-2-one; pentadecano-15-lactone; 1-Oxa-2-cyclohexadecanone; Pentalide; NCGC00248297-01; NSC-36763; P0985; Pentadecan-15-olide; CHEMBL3560504; Pentadecanolide, puriss., >=99.0% (GC); 106-02-5; AC1L5UBZ; Pentadecanoic acid, 15-hydroxy-, .xi.-lactone; BC213449; 2-Pentadecalone; Pentadecanoic acid, .xi.-lactone; 15-Pentadecanolactone; AKOS015964064; KS-00000WPF; 15-Hydroxypentadecanoic acid lactone; 15-Hydroxypentadecanoic acid, lactone; omega-Pentadecalactone, >=98%, FG; TC-153612; DSSTox_GSID_44359; AC-9864 | C15H28O2 | 240.38 | C1CCCCCCCOC(=O)CCCCCC1 |
| TCMBANKIN032500 | alloimperatorine | CC(=CCC1=C2C(=C(C3=C1OC(=O)C=C3)O)C=CO2)C | |||
| TCMBANKIN032842 | ()-trans-Myrtanol | EINECS 239-395-1; [(1R,2R,5R)-6,6-dimethylnorpinan-2-yl]methanol; (1R,2R)-10-Pinanol; 15358-91-5; [(1R,2R,5R)-7,7-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol; 70117_FLUKA; [(1R,2R,5R)-6,6-dimethyl-2-norpinanyl]methanol; (1alpha,2alpha,5alpha)-6,6-Dimethylbicyclo(3.1.1)heptane-2-methanol; (1R,2R)-6,6-Dimethylbicyclo[3.1.1]heptane-2-methanol | C10H18O | 154.25 | CC1(C2CCC(C1C2)CO)C |
| TCMBANKIN032911 | 2,2-dimethylcyclohexanol | (1S)-2,2-dimethylcyclohexan-1-ol; (1S)-2,2-dimethyl-1-cyclohexanol; InChI=1/C8H16O/c1-8(2)6-4-3-5-7(8)9/h7,9H,3-6H2,1-2H; cyclohexanol, 2,2-dimethyl- | C8H16O | 128.21 | CC1(CCCCC1O)C |
| TCMBANKIN033456 | 1-nonen-3-ol | NSC 102782; SCHEMBL148996; I14-63431; nonene-1-ol-3; 79605-61-1; N0451; NSC102782; NSC-102782; TC-113389; DWUPJMHAPOQKGJ-UHFFFAOYSA-; Hexyl vinyl carbinol; DWUPJMHAPOQKGJ-UHFFFAOYSA-N; AC1L3I4L; EINECS 244-686-1; CTK1A5603; 1-Nonen-3 ol; AC1Q7186; ANW-24644; ACMC-1BHJE; Hexylvinylcarbinol; 21964-44-3; 1-Nonene-3-ol; Non-1-en-3-ol; LMFA05000504; MFCD00021953; 3-Hydroxy-1-nonene; AKOS009156593; InChI=1/C9H18O/c1-3-5-6-7-8-9(10)4-2/h4,9-10H,2-3,5-8H2,1H3; 1-Nonen-3-ol; J-014376; AC1Q2VTP; FT-0608165; delta1-nonen-3-ol; KB-13032; 1-Vinylheptanol; AN-17896 | C9H18O | 142.24 g/mol | CCCCCCC(C=C)O |
| TCMBANKIN034198 | acetic acid | AI3-02394; NSC132953; Azijnzuur [Dutch]; Acido acetico [Italian]; Essigsaeure [German]; InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4; Pyroligneous acid; CARBOXYMETHYL GROUP; Caswell No. 003; 45727_FLUKA; A8976_SIAL; A6283_SIAL; 64-19-7; BRN 0506007; 318590_ALDRICH; 45730_FLUKA; 77671-22-8; cellulose diacetate; Acetic acid solution, with more than 10% and less than 50% acid, by mass [UN2790] [Corrosive]; 9035-69-2; 49199_FLUKA; Cellulose diacetate [USAN]; Cellulose, diacetate; FEMA Number 2006; W200611_ALDRICH; CBM; 320099_SIAL; Methanecarboxylic acid; 45726_FLUKA; NCIOpen2_000682; Glacial acetic acid; Acetic acid (JP15/NF); ethanoic acid; 207004-55-5; Otic Tridesilon; 40209_RIEDEL; Acetic acid, propionic acid distillate; NSC406306; 537020_SIAL; 45725_FLUKA; WLN: QV1; LS-2535; Acetic acid, glacial; 27225_RIEDEL; Ethylic acid; AKOS006290339; 07692_FLUKA; ACY; NSC 132953; ACT; 33206_RIEDEL; EPA Pesticide Chemical Code 044001; 380121_SIAL; W200603_ALDRICH; Acetic acid, glacial (USP); ethoic acid; Acetic acid, glacial or acetic acid solution, >80% acid, by mass [UN2789] [Corrosive]; 34254_RIEDEL; 4-02-00-00094 (Beilstein Handbook Reference); 46928_SUPELCO; Acido acetico; C00033; Acetasol (TN); Acetic acid solution, not less than 50% but more than 80% acid, by mass [UN2790] [Corrosive]; Carboxylic acids, C2-3; CHEBI:15366; Acetic acid, of a concentration of more than 10 per cent, by weight, of acetic acid; 45732_FLUKA; Acetic acid [JAN]; Octowy kwas [Polish]; Essigsaeure; Vinegar acid; 242853_SIAL; Glacial acetic acid (JP15); 38050_RIEDEL; A9967_SIAL; LS-1541; 38051_RIEDEL; Kyselina octova [Czech]; ST5213882; Acetate standard for IC; 33209_RIEDEL; UN2790; 40273_RIEDEL; Azijnzuur; Acetic acid solution; Acetic acid (natural); D00010; LMFA01010002; 27218_RIEDEL; Acetic acid, aqueous solution; HSDB 40; 68475-71-8; 34255_RIEDEL; NCIOpen2_000659; 34256_RIEDEL; FEMA No. 2006; CCRIS 5952; Acide acetique; Acetic acid, diluted; Acetasol; Octowy kwas; 71251_FLUKA; 338826_SIAL; EINECS 200-580-7; 13669_FLUKA; Acide acetique [French]; CH3-COOH; 45754_FLUKA; 157090-22-7; Acetic acid, water solutions; UN2789 | C5H10O3 | 118.13 | CC(=O)NCCC1=CN(C2=C1C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Cl |
| TCMBANKIN034317 | (3S,5R,8R,9R,10S,14S)-3,17-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-15,16-dione | (3S,5R,8R,9R,10S,14S)-3,17-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-15,16-quinone | C22H30O4 | 358.47 | |
| TCMBANKIN034482 | sendanone acetate | [5-(3,3-dimethyloxiran-2-yl)-3-[(10R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-yl] acetate; AC1NT0C1 | CC(=O)OC1C(CC(O1)C2C(O2)(C)C)C3CCC4(C3(CCC5C4=CCC6C5(CCC(=O)C6(C)C)C)C)C | ||
| TCMBANKIN035943 | Methyl linolelaidate | 9,12-Octadecadienoic acid, methyl ester, (E,E)-; 9,12-OCTADECADIENOIC ACID (Z,Z)-, METHYL ESTER, HYDROPEROXIDE; 62155_FLUKA; EINECS 219-901-7; Methyl (9E,12E)-9,12-octadecadienoate; 9,12-Octadecadienoic acid (9Z,12Z)-, methyl ester, hydroperoxide; 11068-03-4; 2462-85-3; Methyl octadeca-9,12-dienoate; Methyl linoleate hydroperoxide; Methyl (9E,12E)-octadeca-9,12-dienoate; EINECS 219-560-4; AI3-36451; Linolelaidic acid, methyl ester; Methyl trans,trans-9,12-octadecadienoate; L2251_SIGMA; 2566-97-4; (9E,12E)-octadeca-9,12-dienoic acid methyl ester; octadeca-9,12-dienoic acid methyl ester; Methyllinolelaidate; Linolelaidic acid methyl ester | C19H34O2 | 294.47 | CCCCCC=CCC=CCCCCCCCC(=O)OC |
| TCMBANKIN036275 | Ethylisobutyrate | 246085_ALDRICH; Ethyl isobutyrate (natural); 2-methylpropionic acid ethyl ester; W242802_ALDRICH; ETHYL ISOBUTYRATE; 58380_FLUKA; Isobutyric acid, ethyl ester; W242810_ALDRICH; Propionic acid, 2-methyl-, ethyl ester; NSC97194; 2-methylpropanoic acid ethyl ester; AI3-06121; 97-62-1; UN2385; 4-02-00-00846 (Beilstein Handbook Reference); Propanoic acid, 2-methyl-, ethyl ester; Ethyl isobutyrate [UN2385] [Flammable liquid]; BRN 0773846; WLN: 2OVY1&1; InChI=1/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H; EINECS 202-595-4; Ethyl 2-methylpropionate; Ethyl 2,2-dimethylacetate; FEMA No. 2428; ZINC00391109; Ethyl 2-methylpropanoate; Ethyl isobutanoate; NSC 97194 | C6H12O2 | 116.16 | CCOC(=O)C(C)C |
| TCMBANKIN036312 | 20-Hexadecanoylingenol | 20-hexadecanoylingenol | C36H58O6 | 586.94 | CCCCCCCCCCCCCCCC(=O)OCC1=CC2C3C(C3(C)C)CC(C4(C2=O)C=C(C(C4(C1O)O)O)C)C |
| TCMBANKIN036611 | Dipropyl phthalate | benzene-1,2-dicarboxylic acid dipropyl ester; SBB008002; Di-n-Propyl phthalate; NCGC00090783-02; C14469; NSC15314; N-Dipropyl phthalate; 45624_RIEDEL; EINECS 205-015-8; AI3-01767; 290602_ALDRICH; NSC 15314; Di-n-propylphthalate; Phthalic acid, dipropyl ester; BRN 2332522; ZINC01706878; 1,2-Benzenedicarboxylic acid, dipropyl ester; 131-16-8; 4-09-00-03174 (Beilstein Handbook Reference); dipropyl benzene-1,2-dicarboxylate; FR-0732; NCGC00090783-01; 80156_FLUKA | C14H18O4 | 250.29 | CCCOC(=O)C1=CC=CC=C1C(=O)OCCC |
| TCMBANKIN036820 | albiflorin | Albiflorin; albi-florin | C23H28O11 | 480 | [C@]1([H])(O[H])[C@@]([H])(C([H])([H])O[H])O[C@@]([H])(O[C@]2([C@](C([H])([H])OC(c3c([H])c([H])c([H])c([H])c3[H])=O)(C(=O)O4)[C@@]5([H])C2([H])[H])[C@]4(C([H])([H])[H])C([H])([H])[C@]5([H])O[H])[C@]([ H])(O[H])[C@@]1([H])O[H] |
| TCMBANKIN036889 | paeoniflorin | Paeoniflorin; 23180-57-6; C09959; paeoniflorin ; AIDS-002238; AIDS002238; AKOS015962161; AC-15908; .beta.-D-Glucopyranoside, (1aR,2S,3aR,5R,5aR,5bS)-5b-[(benzoyloxy)methyl]tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl | C23H28O11 | 480.46 | CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=CC=C5)OC6C(C(C(C(O6)CO)O)O)O)O |
| TCMBANKIN036901 | myristic acid | 1-Tridecanecarboxylic acid; Myristinsaeure; CH3-[CH2]12-COOH; 70079_FLUKA; AI3-15381; LMFA01010014; CH3-[CH2]12-COO(-); NCGC00091068-02; Myristic acid-[9,10-3H]; C06424; Emery 655; myristic acid ; NSC 5028; 70082_FLUKA; C14 fatty acid; ST023797; W276405_ALDRICH; CCRIS 4724; Kortacid 1499; 3uev; TUNFSRHWOTWDNC-UHFFFAOYSA-M; Tetradecanoic acid; EINECS 250-924-5; n-Tetradecoic acid; 4-02-00-01126 (Beilstein Handbook Reference); Hydrofol acid 1495; MYR; BRN 0508624; Myristate; Myristic acid (natural); Tetradecanoate; LS-190125; Crodacid; Myristic acid (8CI); EINECS 208-875-2; Prifac 2942; Myristic acid; AIDS002505; tetradecoate; W276413_ALDRICH; FEMA No. 2764; HSDB 5686; Philacid 1400; CHEBI:28875; Edenor C 14; n-tetradecoate; 45184-05-2; myristicacid; tetradecoic acid; n-Tetradecanoic acid; M3128_SIGMA; AIDS-002505; Univol U 316S; Lead dimyristate; AC1N2PSK; NCGC00091068-01; neo-Fat 14; NSC5028; Tetradecanoic acid (9CI); Hystrene 9014; Myristic acid, pure; M4792_SIGMA; CHEBI:30807; n-Tetradecan-1-oic acid; WLN: QV13; 1-tetradecanecarboxylate; 32112-52-0; n-tetradecan-1-oate; 544-63-8 | C14H28O2 | 228.371 | C([H])([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] |
| TCMBANKIN037043 | lactiflorin | Lactiflorin; CHEMBL1078658; AKOS032962076; ?lactiflorin | C23H26O10 | 462 | C([H])([H])([H])[C@@]12[C@@]([H])([C@@]3(C([H])([H])OC(c4c([H])c([H])c([H])c([H])c4[H])=O)C(O1)=O)C([H])([H])[C@]3(O[C@@]5([H])[C@]([H])(O6)O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]5([H])O[H])[C @]6([H])C2([H])[H] |
| TCMBANKIN037277 | Oleanolic acid | Olean-12-en-28-oic acid, 3.beta.-hydroxy-; s2334; Caryophyllin; AIDS014809; Giganteumgenin C; SMR000445561; oleanolicacid; (3-beta)-3-Hydroxyolean-12-en-28-oic acid; AIDS-014809; Olean-12-en-28-oic acid, 3-hydroxy-, (3-beta)-; EINECS 208-081-6; NSC 114945; OLEANOLIC ACID; Olean-12-en-28-oic acid, 3-hydroxy-, (3beta)-; CCRIS 6493; AS-11663; SCHEMBL1699365; Virgaureagenin B; CHEBI:37659; MLS000697656; (4aS,5S,6aS,6bR,8R,8aR,10S,12aR,12bR,14bS)-10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid; AKOS022168208; O5504_SIGMA; MolPort-016-633-333; Oleanolic Acid; Olean-12-en-28-oic acid, 3-beta-hydroxy- (8CI); Oleanic acid; 3beta-Hydroxyolean-12-en-28-oic acid; 3-beta-Hydroxyolean-12-en-28-oic acid; ST057162; Olean-12-en-28-oic acid, 3beta-hydroxy- (8CI); NSC114945; Oleanolic Acid (Caryophyllin); Astrantiagenin C; Olean-12-en-28-oic acid, 3-hydroxy-, (3.beta.)-; 508-02-1; (4R,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3,4,4a,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4-carboxylic acid; (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid; oleanolic acid | C30H48O3 | 457 | C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])=C([C@@]([H])(C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]2(C(=O)O[H])C([H])([H])C3([H])[H])[C@@]34C( [H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C5([H])[H])[C@@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H] |
| TCMBANKIN038220 | 12-o-2z,4e-octadienoyl-4-dexyphorbol-13-acetate | ||||
| TCMBANKIN038515 | paeonilactone c | AKOS032948282; ZINC38927675; Paeonilactone C; C17456; CHEBI:81102; 98751-77-0; MolPort-039-338-419 | C17H18O6 | 318.32 g/mol | CC1(CC2C(CC1=O)C(C(=O)O2)COC(=O)C3=CC=CC=C3)O |
| TCMBANKIN039603 | Peonin | peonin; peonidin 3,5-diglucoside; Peonidin 3-glucoside-5-glucoside; LMPK12010238; SCHEMBL317322 | C28H33O16+ | 625.6 g/mol | COC1=C(C=CC(=C1)C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O |
| TCMBANKIN040082 | octadecanyl-3-methoxy-4-hydorxy benzeneacrylate | 264.317 | |||
| TCMBANKIN040088 | Palbinone | CHEBI:69584; ZINC5497028; D03DEO; 139954-00-0; Palbinone; MolPort-039-338-436 | 358.5 g/mol | ||
| TCMBANKIN040330 | Dahuribirin G | 650.6 g/mol | |||
| TCMBANKIN040863 | tellimagrandin I | tellimagrandinI; tellimagrandin i; cornus-tannin 3; tellimagrandin i ; AC1Q59JF | C12H14ClNO4 | 271.7 | C1C2C(C(C(C(O2)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O1)O)O)O)O)O)O |
| TCMBANKIN040900 | Bornyl acetate | B0526; 5655-61-8; BORNYL ACETATE; ( )-Bornyl acetate; bornylacetate | 196.29 g/mol | ||
| TCMBANKIN040979 | Paeonianin A | 1707.2 g/mol | |||
| TCMBANKIN041246 | strictinin | strictinin | C27H22O18 | 634.453 | c1(O[H])c(O[H])c([H])c(C(=O)OC([H])([H])[C@@]([H])(O[C@@]([H])(OC(=O)c2c([H])c(O[H])c(O[H])c(O[H])c2[H])[C@]([H])(O[H])[C@@]3([H])O[H])[C@@]3([H])OC(=O)c(c([H])c(O[H])c(O[H])c4O[H])c45)c5c1O[H] |
| TCMBANKIN041262 | isoimperatorin | AJ-19023; Oprea1_655950; 7H-Furo[3,2-g][1]benzopyran-7-one,4-[(3-methyl-2-buten-1-yl)oxy]-; NCGC00180809-02!4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one; Isoimperatorin, analytical standard; 4-[(3-methylbut-2-en-1-yl)oxy]-7h-furo[3,2-g]chromen-7-one; MCULE-5468436292; Iso-imperatorin; UNII-0ZMV066080; BDBM50242377; ZB010260; BG00617053; BRD-K40367461-001-01-0; ZINC00296185; ACN-035226; HMS2268M21; CS-5801; ACon1_000176; MLS001048978; MLS000574919; API0003033; Q-100533; Oprea1_630212; 4-(3-methylbut-2-enoxy)-7-furo[3,2-g]chromenone; Iso Imperatorin; isoimperatorin ; 4-[(3-METHYLBUT-2-EN-1-YL)OXY]FURO[3,2-G]CHROMEN-7-ONE; AN-8401; CTK4J0732; I06-0434; C16976; 7,4-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g]-1-benzopyran-7-one; AB0019796; 7H-Furo[3,2-g][1]benzopyran-7-one, 4-((3-methyl-2-butenyl)oxy)-; AIDS-071126; SCHEMBL15090959; IGWDEVSBEKYORK-UHFFFAOYSA-N; TR-031434; 482I451; NCGC00180809-01; 482-45-1; DTXSID60197460; 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[(3-methyl-2-butenyl)oxy]-; 4-((3-methylbut-2-en-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one; AK-23906; Isoimperatorin; AC1Q6AY9; KS-00000NN4; MFCD00272155; 0ZMV066080; AC-8047; AX8008744; SMR000156243; CHEMBL448060; HY-N0286; CHEBI:66071; KB-294187; FT-0656369; 10-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g][1] benzopyran-7-one; STOCK1N-27740; ZINC296185; N1746; ST24047429; 4-[(3-Methyl-2-butenyl)oxy]-7H-furo[3,2-g]chromen-7-one #; MolPort-001-740-269; 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-((3-methyl-2-butenyl)oxy)-; CI0035; V0302; 7H-Furo[3,2-g][1]benzopyran-7-one,4-[(3-methyl-2-butenyl)oxy]-; AIDS071126; 4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one; AKOS015895143; 4-(3-Methyl-but-2-enyloxy-furo[3,2-g]chromen-7-one; MEGxp0_000090; AC1L28ZP | C17H16O3 | 268.307 | c12c(c([H])c([H])o1)c(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c3c(OC(=C([H])[H])C([H])=C3[H])c2O[H] |
| TCMBANKIN041272 | stearic acid | 4-02-00-01206 (Beilstein Handbook Reference); AIDS-049230; Emersol 871; 8039-52-9; 126539-56-8; stearic acid, ion(1-); D00119; octadecoic acid; Hydrofol Acid 150 (VAN); 134503-33-6; Fatty acids C16-18; 68937-76-8; Kam 2000; VLZ 200; Lunac S 98; Glycon S-80; Hy-phi 1205; Lunac YA; Pristerene 9429; Pristerene 4900; Octadecanoic acid (9CI); Hystrene 9718NF; Edenor FHTI; Cetylacetic acid; NAA 173; NSC 25956; Lunac S 90; S 30C S 30C (fatty acid); Neo-Fat 18-61; Dar-chem 14; NSC25956; Edenor HT-JG 60; Octadecanoate; 57485-56-0; Oktadekansaeure; S 300 (fatty acid); Unister NAA 180; Industrene 5016; Prisorine 3508; Hydrofol Acid 150; Hystrene 4516; G 270; Stearic Acid Cherry; Century 1230; 822-16-2 (SODIUM SALT); NCGC00091596-02; Glycon S-90; 85404-83-7; NCGC00091596-01; Stearic acid (JP15/NF); Hystrene 5016; Hy-phi 1303; Glycon S-70; C01530; Octadecansaeure; Neo-Fat 18-55; WO 2 (fatty acid); Pristerene 9559; SA 200; Century 1240; Stearic acid, pure; Sunfat 18S; WO 2; CHEBI:28842; Industrene 5016K; LS-2392; Kam 3000; BRN 0608585; Edenor ST 20; AIDS049230; Lunac 30; EINECS 273-087-8; Emersol 150; 175366_SIAL; 8039-54-1; Fatty acids, C16-20; stearicacid; Stearic acid ion(1-)salt; Stearic acid (8CI); Stearinsaeure; Emersol 153NF; Hydrofol acid 1855; 57-11-4; Lunac S 30; Hystrene T 70; Prisorine 3501; Haimaric MKH(R); Stearex Beads; Groco 55; Hystrene S-97; Neo-Fat 18-54; W303518_ALDRICH; Hydrofol acid 1655; Nonsoul SN 1 (*Sodium salt*); EINECS 200-313-4; 39390-61-9; Emersol 120; EPA Pesticide Chemical Code 079082; Lunac S 20; Octadecanoic acid, ion(1-); 8013-28-3; AI3-00909; Kortacid 1895; FEMA No. 3035; Hystrene S 97; 82497-27-6; Tegostearic 254; SNA-2000 (*Sodium salt*); 1-Heptadecanecarboxylic acid; AC1MHWEJ; STL280244; 27405_RIEDEL; Steric acid; Industrene 9018; Glycon dp; F 3 (lubricant); Hy-phi 1401; Lunac S 50; Emersol 132; Stearic acid, ion(1-) (8CI); CH3-[CH2]16-COO(-); acide octadecanoique; Groco 55l; 73297_FLUKA; Serfax MT 90; Stearic acid [USAN:JAN]; 8039-51-8; acide stearique; Kam 1000; Acidum stearinicul; InChI=1/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20; 8039-53-0; 17FA; Stearophanic acid; 8037-83-0; Hystrene 7018; FA 1655; Prisorine 3502; Nonsoul SK 1; Hydrofol Acid 1895; Lunac S 40; Stearic acid 50; 8023-06-1; 85679_FLUKA; HSDB 2000; n-Octadecanoate; 400JB9103-88; Glycon tp; Unimac 5680; Loxiol G 20; Stearate; 875D; Octadecanoic acid; Neo-Fat 18-53; octadecanoate (n-C18:0); Radiacid 0427; Emery 871; Vanicol; Vis-Plus; PD 185; EINECS 250-178-0; AKOS022105769; 646-29-7; Edenor ST 1; S 300; Caswell No. 801D; Selosol 920; Tegostearic 272; Isostearic acid EX; A 1760; WLN: QV17; Stearic acid (TN); Pearl stearic; 609343-71-7; Palmitic acid - stearic acid mixture; Emersol 875; Industrene 8718; Hystrene 9718NFFG; NCGC00164255-02; ST023799; LMFA01010018; Groco 54; Edenor C18; Hystrene T-70; Hy-phi 1199; CTK8J8420; n-Octadecanoic acid; Groco 58; Pristerene 4963; Formula 300; AFCO-Chem B 65; CCRIS 2305; Industrene R; Century 1220; S4751_SIGMA; Neo-Fat 18; 58392-66-8; Barolub FTA; Hystrene 9718; CH3-[CH2]16-COOH; STE; 8037-40-9; 30399-84-9; Lunac S 90KC; Hydrofol 1895; Emery 875D; Century 1210; QIQXTHQIDYTFRH-UHFFFAOYSA-M; Neo-Fat 18-59; LS-1388; Groco 59; Humko Industrene R; Hystrene 80; Adeka Fatty Acid SA 910; Stearic acid; Prifac 2918; Emersol 6349; Edenor C 18/98; 3uex; LS-97707; CHEBI:25629; Neo-Fat 18-S; Stearic acid - palmitic acid mixture; Tegostearic 255; C-Lube 10 | C18H36O2 | 284 | C([H])([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])= O |
| TCMBANKIN041428 | Dahuribirin A | 586.6 g/mol | |||
| TCMBANKIN041673 | Oxypeucedanin methanolate | 318.32 g/mol | |||
| TCMBANKIN042434 | Paeonilactone B | CHEBI:81101; ZINC38672526; 98751-78-1; (3aR,6S,7aR)-3a,6,7,7a-Tetrahydro-6-hydroxy-6-methyl-3-methylene-2,5(3H,4H)-benzofurandione; MolPort-039-338-420; C17455; AKOS032948957; Paeonilactone B; SCHEMBL8513390 | 196.2 g/mol | ||
| TCMBANKIN043057 | nodakenin | AIDS071124; 2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one; SMR000232306; Nodakenetin, beta-D-glucopyranoside; (+)-Marmesinin; AIDS-071124; MEGxp0_001251; (2R)-2-[1-methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]ethyl]-2,3-dihydrofuro[3,2-g]chromen-7-one; 495-31-8; MLS000563463; 7H-Furo[3,2-g][1]benzopyran-7-one, 2-[1-(.beta.-D-glucopyranosyloxy)-1- methylethyl]-2,3-dihydro-, (2R); C09279; Nodakenetin, b-D-glucopyranoside; (2R)-2-[1-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-ethyl]-2,3-dihydrofuro[3,2-g]chromen-7-one; (2R)-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one; (2R)-2-[1-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-ethyl]-2,3-dihydrofuro[3,2-g]chromen-7-one; 7H-Furo(3,2-g)(1)benzopyran-7-one, 2-(1-(beta-D-glucopyranosyloxy)-1-methylethyl)-2,3-dihydro-, (2R)-; Nodakenin; AC1NSXVE | C20H24O9 | 408.4 | CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC4C(C(C(C(O4)CO)O)O)O |
| TCMBANKIN043059 | dahuribirin b | C34H34O13 | 650.6 g/mol | CC1(C(OC2(O1)C=CC3=C(C4=C(C(=C3O2)OCC(C(C)(C)O)O)OC=C4)OC)COC5=C6C(=C(C7=C5OC(=O)C=C7)OC)C=CO6)C | |
| TCMBANKIN043259 | paeonianiin e | COC(=O)C1=CC(=C(C(=C1C2C3C(OC(=O)C4=CC(=C(C(=C4C5=C(C2=C(C(=C5O)O)O)C(=O)O3)O)O)O)C6C(COC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O6)O)O)O)O)O)O)O)O)O)O | |||
| TCMBANKIN043342 | (+)-Oxypeucedanin | CHEMBL1651087; (+)-Oxypeucedanin; ZINC225574; BDBM50335596 | 286.28 g/mol | ||
| TCMBANKIN043888 | pedunculagin | beta-Pedunculagin; 118014-30-5; VA85X55GDI; beta-D-Glucopyranose, cyclic 2,3:4,6-bis((1S)-4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate); 4-O,6-O-[(4,4',5,5',6,6'-Hexahydroxy-1,1'-biphenyl-2,2'-diyl)biscarbonyl]-2-O,3-O-[(4,4',5,5',6,6'-hexahydroxy-1,1'-biphenyl-2,2'-diyl)biscarbonyl]-beta-D-glucopyranose; UNII-VA85X55GDI | C34H24O22 | 785 | c1(O[H])c([H])c(C(OC([H])([H])[C@@]([H])(O[C@@]([H])(O[H])[C@]([H])(OC(=O)c2c(c3c(C(=O)O4)c([H])c(O[H])c(O[H])c3O[H])c(O[H])c(O[H])c(O[H])c2[H])[C@@]45[H])[C@@]5([H])OC(=O)c(c([H])c(O[H])c(O[H])c6O[H] )c67)=O)c7c(O[H])c1O[H] |
| TCMBANKIN044727 | salicylic acid | 3320-EP2298732A1; D00097; CCRIS 6714; 3320-EP2287148A2; 3320-EP2298735A1; o-Hydroxybenzoate anion; Trans-Ver-Sal; Verrugon; CHEBI:30762; STK258681; 2y7w; salicylate; BBL000698; 3320-EP2305260A1; 3320-EP2311796A1; K 537; Keralyt; AC1L1JPL; Salicylate anion; 3320-EP2301534A1; Orthohydroxybenzoic acid; 3320-EP2292595A1; o-hydroxybenzoic acid; Salicylate ion; 3320-EP2298777A2; ACS No 10; Ionil; 3320-EP2289871A1; Salicylic acid [USAN:JAN]; 3320-EP2298748A2; SMR000059163; AC1Q5BFS; o-Carboxyphenol; NCGC00178624-02; 3320-EP2269991A2; 25496-36-0; 3320-EP2292614A1; 3320-EP2311451A1; Salicylic acid; YGSDEFSMJLZEOE-UHFFFAOYSA-M; 3320-EP2284179A2; Benzoic acid, 2-hydroxy-; 3320-EP2287150A2; MLS000069653; 3320-EP2301912A2; CHEBI:16914; Ionil-Plus; Salicylic acid & Sulfur Soap; 3320-EP2305637A2; 3320-EP2298743A1; 3320-EP2284151A2; 54-21-7 (SODIUM SALT); AB00053542_03; Salicylic acid collodion; Kyselina 2-hydroxybenzoova [Czech]; Salicylic acid (6CI,8CI); AIDS-006789; 3320-EP2295416A2; KBio2_003996; 2-hydroxy-benzoate; Dr. Scholl's Corn Removers; 3320-EP2284152A2; Advanced Pain Relief Corn Removers; 3320-EP2284156A2; NCGC00159447-02; 3320-EP2316835A1; 3320-EP2295413A1; 3320-EP2308863A1; 3320-EP2292593A2; 3320-EP2305671A1; AIDS006789; Duofil Wart Remover; 2-Hydroxybenzoic acid; 3gf2; InChI=1/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10; 3320-EP2269985A2; C00805; 3twp; 3320-EP2311798A1; 3320-EP2275420A1; hydroxybenzoate; WLN: QVR BQ; Salonil; S7401_SIGMA; NSC 180; Salicylic acid (JP15/USP); 3320-EP2301927A1; 3198-EP2289876A1; 3320-EP2316470A2; NCGC00178624-03; Saligel; 2-HYDROXYPHENYLFORMATE; salicylicacid; CPD-110; 3320-EP2284150A2; Spectrum_000948; EPA Pesticide Chemical Code 076602; 3320-EP2284164A2; 3320-EP2295550A2; SMP2_000145; Acidum salicylicum; CAS_54-21-7; Dr. Scholl's Callus Removers; Stri-Dex; ZB000360; SAL; o-Hydroxybenzoate; 3320-EP2280008A2; Clear away Wart Remover; 3320-EP2295432A1; S8519_SIGMA; CTK5I4917; CJ-00055; Salicylic acid, tech.; Salicylic acid soap; 3320-EP2269978A2; 2-Hydroxybenzoate (Na+); Benzoic acid, 2-hydroxy-, ion(1-); SGCUT00012; Duoplant; Freezone; 3320-EP2284155A2; Occlusal; 3320-EP2284178A2; 3320-EP2301914A1; 3320-EP2311825A1; MFCD00984876; Psoriacid-S-Stift; 3320-EP2301913A1; Rutranex; IDI1_000301; 3320-EP2314578A1; 2-Hydroxybenzenecarboxylic acid; 3320-EP2298765A1; 3320-EP2308832A1; MolPort-003-710-545; 8052-31-1; o-Hydrobenzoate; Retarder W; Salicylic acid-ring-UL-14C; 2y7k; Duofilm; o-Hydrobenzoic Acid; NSC_5900; EINECS 200-712-3; NCGC00159447-04; BDBM85513; 3320-EP2295419A2; 3320-EP2314295A1; STK372903; 63-36-5; 3320-EP2311835A1; DivK1c_000301; 2-Hydroxybenzoic acid ion(1-); 3320-EP2316450A1; 3320-EP2277875A2; Dr. Scholl's Wart Remover Kit; 105910_ALDRICH; HSDB 672; 69-72-7; 3320-EP2311842A2; 2y7p; 3320-EP2284153A2; AI3-02407; 3320-EP2272847A1; 7681-06-3; Phenol-2-carboxylic acid; AKOS005447222; 3198-EP2298777A2; Ionil Plus; KBioSS_001428; 3320-EP2301916A2; T7104; 3320-EP2284170A1; 3320-EP2298764A1; Caswell No. 731; 2-Oxylatobenzoate; 84210_FLUKA; KBio1_000301; 3320-EP2311799A1; BENZOIC ACID,2-HYDROXY SALICYLIC ACID; to_000004; Compound w; 3320-EP2275102A1; 3320-EP2311797A1; 2-Hydroxybenzoate; Kyselina salicylova [Czech]; S5922_SIGMA; 3320-EP2287140A2; 2-Hydroxybenzoic acid anion; 3320-EP2305688A1; 3320-EP2305243A1; UPCMLD-DP126:001; 3320-EP2295412A1; 27301_SIAL; Salicylic acid, ion(1-); 3320-EP2292590A2; 3320-EP2277876A1; W398500_ALDRICH; Oprea1_040343; KBio2_006564; Salicylic acid (TN); Sebucare; 2-Carboxyphenol; Benzoic acid, 2-hydroxy- (9CI); Acido salicilico [Italian]; KBio2_001428; Acido o-idrossibenzoico [Italian]; Advanced Pain Relief Callus Removers; LS-144344; NINDS_000301; 2-hydroxybenzoic acid; 247588_SIAL; 2-CARBOXYBENZENOLATE; 3198-EP2314295A1; NSC180; Domerine; Sebulex; BRN 0774890; CMC_13852 | C7H6O3 | 138.12 | C1=CC=C(C(=C1)C(=O)O)[O-] |
| TCMBANKIN045928 | Paeonianin B | 1707.2 g/mol | |||
| TCMBANKIN046097 | dahuribirin d | C32H28O10 | 572.6 g/mol | CC1(C(O1)COC2=C3C=COC3=CC4=C2C=CC5(O4)OC(C(O5)(C)C)COC6=C7C=CC(=O)OC7=CC8=C6C=CO8)C | |
| TCMBANKIN046249 | camphene | CHEMBL506889; CJ-04639; (-)-camphene; (-)-Camphene, technical grade, 75% (90% as camphene and fenchene); L-Camphene; DSSTox_RID_81702; (1S,4R)-2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane; Bicyclo(2.2.1)heptane, 2,2-dimethyl-3-methylene-, (1S)-; (1S)-2,2-Dimethyl-3-methylenebicyclo(2.2.1)heptane; DSSTox_CID_26538; FCH1121419; (1S,4R)-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane; 5794/4/7; C06305; (-) camphene; ZB015525; CC-00037; M5YAV509FN; UNII-G3VG94Z26E component CRPUJAZIXJMDBK-BDAKNGLRSA-N; DTXSID3046538; ZINC968230; CHEBI:89; (1S,4R)-camphene; (-)-Comphene; cam phene; DSSTox_GSID_46538; NCGC00166100-01; (-)-(1S,4R)-camphene; Bicyclo(2.2.1)heptane, 2,2-dimethyl-3-methylene-, (1S,4R)-; CAS-5794-04-7; EINECS 227-337-8; UNII-M5YAV509FN; CRPUJAZIXJMDBK-BDAKNGLRSA-N; (1S)-2,2-Dimethyl-3-methylenebicyclo[2.2.1]heptane; Tox21_112314 | C10H16 | 136.23 g/mol | CC1(C2CCC(C2)C1=C)C |
| TCMBANKIN046373 | dahuribirin c | C33H30O11 | 602.6 g/mol | CC1(C(O1)COC2=C3C(=C(C4=C2OC=C4)OC)C=CC5(O3)OC(C(O5)(C)C)COC6=C7C=CC(=O)OC7=CC8=C6C=CO8)C | |
| TCMBANKIN046452 | 5'-o-methyladenosine | C11H15N5O4 | 281.27 g/mol | COCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O | |
| TCMBANKIN046493 | Dahuribirin E | 590.6 g/mol | |||
| TCMBANKIN046733 | Paeonianin D | 1707.2 g/mol | |||
| TCMBANKIN046763 | Paeonin | A-d-glucopyranoside chloride; Paeonin; 132-37-6; AC1L4LZ0; (2S,3R,4S,5S,6R)-2-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol chloride; A-d-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenium-5-yl ; 3-(; PEONIDIN-3,5-DIGLUCOSIDE CHLORIDE; AC1Q1SAF; AKOS030573632; 1-Benzopyrylium, 3,5-bis(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-, chloride; EINECS 205-060-3; 3,5-Bis(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride; AK608364 | C28H34ClO16 | 661 g/mol | c12c(C([H])=C(O[C@@]([H])(O[C@]3([H])C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C(c4c([H])c(OC([H])([H])[H])c(O[H])c([H])c4[H])=O1)c(O[C@@]([H])(O[C@]5([H])C([H])([H])O[H])[C@]([H]) (O[H])[C@]([H])(O[H])[C@@]5([H])O[H])c([H])c(O[H])c2[H].Cl |
| TCMBANKIN047217 | paeonianin c | C75H54O47 | 1707.2 g/mol | C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)C4C5C(C6=C(C(=C(C(=C6C(=O)O5)C7=C(C(=C(C=C7C(=O)O4)O)O)O)O)O)O)C8=C(C(=C(C=C8C(=O)OC9C(OC(C(C9OC(=O)C1=CC(=C(C(=C1)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)COC(=O)C1=CC(=C(C(=C1)O)O)O)O)O)O)O | |
| TCMBANKIN047434 | suberosin | 581-31-7; Suberosin; CHEBI:69041; AC1Q69VY; MEGxp0_001424; 2H-1-Benzopyran-2-one, 7-methoxy-6-(3-methyl-2-butenyl)-; W1275; Coumarin, 7-methoxy-6-(3-methyl-2-butenyl)- (8CI); AIDS-011993; 7-Methoxy-6-(3-methylbut-2-en-1-yl)-2H-chromen-2-one; suberosin ; NSC31869; 4CN-1207; 2H-1-Benzopyran-2-one, 7-methoxy-6-(3-methyl-2-butenyl)- (9CI); ZINC1664037; 7-methoxy-6-prenylcoumarin; BDBM50361375; 7-Methoxy-6-(3-methyl-2-buten-1-yl)-2H-chromen-2-one; NSC-31869; CHEMBL1928409; SCHEMBL6273982; RSZDAYHEZSRVHS-UHFFFAOYSA-N; 7-Methoxy-6-(3-methyl-2-butenyl)-2H-chromen-2-one #; ACon1_000574; 7-methoxy-6-(3-methylbut-2-enyl)-2-chromenone; AIDS011993; 7-methoxy-6-(3-methylbut-2-enyl)coumarin; NCGC00168948-02!7-methoxy-6-(3-methylbut-2-enyl)chromen-2-one; NP-006524; 7-methoxy-6-(3-methylbut-2-enyl)chromen-2-one; AKOS028108564; MCULE-9562140872; NCI60_002737; CTK5A7890; NSC 31869; MolPort-005-944-812; Coumarin, 7-methoxy-6-(3-methyl-2-butenyl)-; DTXSID20206820; AC1L29TY; SUBEROSIN | C15H16O3 | 244.286 | c1(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c([H])c(C([H])=C([H])C(=O)O2)c2c([H])c1OC([H])([H])[H] |
| TCMBANKIN047436 | dahuribirin f | C34H32O12 | 632.6 g/mol | CC(=C)C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)OC(C)(C)C(COC4=C5C(=C(C6=C4OC(=O)C=C6)OC)C=CO5)O | |
| TCMBANKIN047621 | casuariin | BDBM50269546; D0I1UF; CHEMBL509562; SCHEMBL1883046; casuariin ; Casuariin | C35H26O21 | 783 | c1(O[H])c(c([H])c2c(c3c(C(=O)O[C@]([H])([C@]([H])(C([H])([H])OC2=O)O[H])[C@]4([H])C([H])([H])C(=O)c5c(c6c(C(=O)O[C@@]47[H])c(c(O[H])c(O[H])c6O[H])[C@]7(O[H])[H])c(O[H])c(O[H])c(O[H])c5[H])c([H])c(O[H] )c(O[H])c3O[H])c1O[H])O[H] |
| TCMBANKIN048691 | alpha-Guttiferin | alpha-guttiferin | C27H32O6 | 452.59 | C1(C([H])([H])[H])=C(C([H])([H])[H])c2c(c(C(=O)C(\C(=C(/C([H])([H])C([H])([H])[H])\O[H])\[C@@]([H])(C([H])([H])[H])C([H])([H])C3([H])[H])=C3[H])c(O[H])c(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H ])[H])c2O[H])OC1=O |
| TCMBANKIN049356 | eugeniin | Eugeniin; C10224; eugeniin ; MEGxp0_001162; ACon1_001321; 58970-75-5; Tellimagrandin II | C41H30O26 | 939 | c1([H])c(C(O[C@]2([H])[C@@]([H])(OC(c3c([H])c(O[H])c(O[H])c(O[H])c3[H])=O)[C@]([H])(OC(=O)c(c([H])c4O[H])c([H])c(O[H])c4O[H])O[C@]([H])(C([H])([H])OC(=O)c(c([H])c(O[H])c(O[H])c5O[H])c5c(c(O[H])c(O[H]) c(O[H])c6[H])c6C(=O)O7)[C@]27[H])=O)c([H])c(O[H])c(O[H])c1O[H] |
| TCMBANKIN049607 | Sen-byakangelicol | 386.43 | |||
| TCMBANKIN049986 | 1,2,3-Tri-O-galloyl-beta-D-glucose | 1,2,3-tri-o-galloyl-β-d-glucose; NCGC00385134-01![(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-5,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-4-yl] 3,4,5-trihydroxybenzoate; 1,2,3-tri-O-galloyl-β-D-glucose; (2R,3R,4S,5R,6S)-3-HYDROXY-2-(HYDROXYMETHYL)-5,6-BIS(3,4,5-TRIHYDROXYBENZOYLOXY)OXAN-4-YL 3,4,5-TRIHYDROXYBENZOATE; MolPort-021-804-759; MCULE-6716368229; Galloyl 2-O,3-O-digalloyl-beta-D-glucopyranoside; [(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-5,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-4-yl] 3,4,5-trihydroxybenzoate; 1,2,3-tri-o-galloyl-beta-d-glucose; SCHEMBL5664995; AC1NT146; ZINC77269615 | C27H24O18 | 636.5 g/mol | C1=C(C=C(C(=C1O)O)O)C(=O)OC2C(C(OC(C2OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)CO)O |
| TCMBANKIN057142 | Ruvoside | UN2330; 1120-21-4; CAS-1120-21-4; LTBB002321; LS-158394; UN 2330; UNII-JV0QT00NUE; DSSTox_CID_1689; AI3-21126; U203; ACMC-209t6p; MolPort-001-783-218; Jsp000912; CCRIS 3796; Undecane [UN2330] [Flammable liquid]; EC 214-300-6; UND; undecyl group; 4-01-00-00487 (Beilstein Handbook Reference); KSC176C3J; Undecane; ANW-42095; 175476-97-8; DSSTox_RID_76285; AC1L23G2; n-Undecane, 99% 50g; Undekan; Undecane, 99%; QSPL 058; 17398EC4-D16F-42F6-8A27-60F8EC075469; BRN 1697099; Undecane, >=99%; TR-002350; InChI=1/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H; UNDECAN-2-YL; MCULE-7319807036; NSC 66159; EINECS 214-300-6; J-002689; RSJKGSCJYJTIGS-UHFFFAOYSA-N; NCGC00254001-01; DTXSID9021689; n-C11H24; U0002; S0283; undecan; DSSTox_GSID_21689; SC-79237; CHEMBL132474; Undecane, analytical standard; JV0QT00NUE; MFCD00008959; Hendekan; HSDB 5791; CH3-[CH2]9-CH3; NCGC00247896-01; C-28174; CC-33184; N-UNDECANE; AKOS005145675; FT-0633353; AN-20593; 61193-21-3; 55101-35-4; KS-00000WJI; NSC66159; NSC-66159; I14-60624; ZINC1693211; Hendecane; Decane, methyl-; n-Hendecane; LMFA11000591; CHEBI:46342; TRA0090240; Undecane [UN2330] [Flammable liquid]; DB-041031; CTK0H6134; RTR-002350; Tox21_300076;LMFA11000001; Tridekan; InChI=1/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H; CH3-[CH2]11-CH3; 629-50-5; 91490_FLUKA; 442713_SUPELCO; HSDB 5727; n-Tridecane; EINECS 211-093-4; NSC66205; T57401_ALDRICH; Tridecane; CHEBI:35998; NSC 66205; TRIDECANE, N-; C13834;Tridekan; UNII-114P5I43UJ component IIYFAKIEWZDVMP-UHFFFAOYSA-N; MCULE-7749861366; U393; DB-054344; Tridecane_GurudeebanSatyavani; ACMC-209t6w; C13H28; C13834; N-TRIDECANE; 757DB156-6441-49B0-A824-1532074AC0F6; NCGC00257175-01; IIYFAKIEWZDVMP-UHFFFAOYSA-N; Tridecane, >=99%; TL8004327; MolPort-003-933-018; LS-157141; AN-22061; STL301147; CAS-629-50-5; tridecan; LMFA11000001; SC-74775; AC1L1ZHL; LTBB002872; DSSTox_CID_7266; C-28190; InChI=1/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H; Tridecane, 99.0%; TRA0008560; I14-59696; KSC353S8D; UNII-FW7807707B component IIYFAKIEWZDVMP-UHFFFAOYSA-N; S0285; Dodecane, methyl-; AKOS016011009; FT-0632663; Tridecane, analytical standard; Alkanes, C12-14; MFCD00008979; UNII-A3LZF0L939; DSSTox_GSID_27266; RT-000404; CHEMBL135694; tridecyl group; KS-00000XDT; ST24031950; HSDB 5727; EINECS 211-093-4; AC1Q28TY; DSSTox_RID_78377; FT-0082500; DTXSID6027266; CC-33178; A3LZF0L939; Tox21_303043; NSC-66205; Tridecane; CH3-[CH2]11-CH3; CTK2F3981; TRD; EC 211-093-4; NSC66205; AK115985; ANW-42102; 629-50-5; CHEBI:35998; NSC 66205; TRIDECANE, N-; ZINC1693738;n-tridecane;TRD | C30H46O9 | [C@]1([H])(OC([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])[H])O[C@@]([H])(O[C@@]2([H])C([H])([H])[C@]3([H])[C@@](C([H])([H])O[H])([C@@]([H])(C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@]([H])( C4=C([H])C(=O)OC4([H])[H])C([H])([H])C5([H])[H])[C@]56O[H])[C@@]6([H])C([H])([H])C3([H])[H])C([H])([H])C2([H])[H])[C@@]1([H])O[H] | |
| TCMBANKIN057949 | sucrose | Amerfand; 29253-78-9; Sucrose (TN); alpha-D-Glucopyranoside, beta-D-fructofuranosyl-; saccharose; Sugar, compressible (NF); S0389_SIGMA; D06530; C00089; 1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside; Sucrose, purified; 8027-47-2; 30027-72-6; 29764-06-5; 86101-30-6; NSC 406942; D06529; Sucrose [USAN:JAN]; 146187-04-4; ST5308554; Sugar, confectioner's; D(+)-Saccharose; S7903_SIGMA; GLC-(1-2)FRU; alpha-D-glucopyranosyl beta-D-fructofuranoside; FICOLL; 151756-02-4; Sugar spheres (NF); White soft sugar (JP15); Sucraloxum [INN-Latin]; Saccharum; alpha-D-Glc-(1-2)-beta-D-Fru; S9378_SIGMA; 76056-38-7; 47289_SUPELCO; D-Sucrose; Sugar spheres; 87430-66-8; 104242-10-6; (alpha-D-Glucosido)-beta-D-fructofuranoside; Table sugar; Sacharose; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; NCI-C56597; 47167-52-2; CCRIS 2120; alpha-D-Glucopyranoside, beta-D-fructofuranosyl, homopolymer; D06528; Microse; Cane sugar; Amerfond; 64533-66-0; White soft sugar; beta-D-Fruf-(2<->1)-alpha-D-Glcp; sugar; White sugar; SUC; 84097_FLUKA; Rock candy; beta-D-Fructofuranosyl-alpha-D-glucopyranoside; Fructofuranoside, alpha-D-glucopyranosyl, beta-D; 80165-03-3; 47257-91-0; CHEBI:17992; 47185-09-1; S5390_SIGMA; alpha-D-Glucopyranoside, beta-D-fructofuranosyl; S1888_SIGMA; 220376-22-7; D06533; 8030-20-4; S3929_SIGMA; S1174_SIGMA; 65545-99-5; Glucopyranoside, beta-D-fructofuranosyl, alpha-D; S2395_SIGMA; 78654-77-0; D06531; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol; SUCROSE; S5016_SIAL; 51909-69-4; 85456-51-5; D()-Saccharose; ZINC04217475; 84100_FLUKA; D00025; Confectioner's sugar; EINECS 200-334-9; Sugar, confectioner's (NF); 57-50-1; 100405-08-1; 92004-84-7; Beet sugar; S5391_SIGMA; Sucrose, dust; alpha-D-Glc-(1->2)-beta-D-Fru; beta-D-Fructofuranosyl alpha-D-glucopyranoside; 131932-12-2; HSDB 500; Sugar, compressible; AI3-09085; alpha-D-Glucopyranosylbeta-D-fructofuranoside; Rohrzucker; 16104_RIEDEL; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol; Granulated sugar; S8501_SIGMA; Sucrose, purified (JAN); 146054-35-5; Sucrose (JP15/NF); 9012-95-7; Sucrose, pure; 75398-84-4; 50857-68-6; (2R,3R,4S,5S,6R)-2-[[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-tetrahydrofuranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; 25702-74-3; D(+)-Sucrose | C12H22O11 | 342.3 g/mol | C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O |
| TCMBANKIN058012 | 9-methylenefluorene | 9-Methylene-9H-fluorene; 9-Methylene-fluorene; 9-methylidenefluorene; 9H-Fluorene, 9-methylene-; 4425-82-5 | C14H10 | 178.23 g/mol | C=C1C2=CC=CC=C2C3=CC=CC=C13 |
| TCMBANKIN058060 | gallic acid | Spectrum4_001544; NSC-755825; 4CN-0954; KBio2_000822; NCGC00260064-01; KBio3_001168; CHEBI:30778; GTPL5549; D0Y3TZ; NCGC00091125-01; 632XD903SP; ARONIS23903; Spectrum5_000108; Jsp002851; T7419; Gallic acid, puriss., 98.0%; I14-9302; NCGC00091125-07; ZINC1504; 3,4,5-trihydroxybenzoic acid (ACD/Name 4.0); KBioGR_002008; AK-65266; pyrogallol-5-carboxylate; BRD-K77345217-001-01-9; Gallicum acidum; LNTHITQWFMADLM-UHFFFAOYSA-N; KBio2_003390; EBD679760; NCGC00091125-04; AJ-08037; Gallic acid; ZB000350; BG01502846; A808977; (?)-Gallic acid; WLN: QVR CQ DQ EQ; N1830; AC1NEVA5; SBB008781; 149-91-7; GALLIC ACID ANHYDROUS; Gallic acid [NF]; KS-00000IWM; CS-8191; LS-870; C01424; KS-00004784; CHEBI:16918; SPECTRUM210369; c0006; UNII-632XD903SP; ACMC-20aku5; CTK0H5618; BIDD:ER0374; AC1Q732X; NCGC00091125-02; F1908-0156; Oprea1_087792; CG0029; DSSTox_RID_75711; Kyselina 3,4,5-trihydroxybenzoova; 3-10-00-02070 (Beilstein Handbook Reference); RP23206; NSC36997; Gallic acid, certified reference material, TraceCERT(R); AI3-16412; CCG-38670; STK298718; Tox21_202515; bmse000389; AN-15162; AB00052697_03; SR-05000001537-2; NSC-36997; 1886-EP2374526A1; 5-Carboxybenzene-1,2,3-triol; KBio2_005958; SR-05000001537-3; NCGC00091125-05; KBio1_001347; Kyselina gallova [Czech]; KSC175M1R; KBioSS_000822; HMS2091A07; gallate; CPD-183; Spectrum3_000254; 78563C7D-0E2D-4766-A8EA-670A03C78FCF; gallic acid ; InChI=1/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12; GDE; SBI-0052184.P002; EINECS 205-749-9; CAS-149-91-7; Kyselina gallova; J3.617.291F; Benzoic acid, 3,4,5-trihydroxy-; BG00601456; DivK1c_006403; Benzoic acid,4,5-trihydroxy-; gallic acid for microelectronic industrial; BRN 2050274; Gallic acid tech.; NCGC00091125-03; Kyselina 3,4,5-trihydroxybenzoova [Czech]; Gallic acid, 97.5-102.5% (titration); gallicacid; 3,4,5-Trihydroxybenzoic acid, anhydrous; NSC674319; TR-020762; 3,4,5-tris(oxidanyl)benzoate; MCULE-1552954312; Gallic acid polymer; Pharmakon1600-00210369; BSPBio_001668; Tox21_111089; HMS1923K07; CCRIS 5523; BDBM50085536; NSC-674319; ST2404570; BB_SC-2795; AC-1206; 3,4,5-trihydroxy-Benzoic acid; Gallic Acid Hydrate; AC1L1934; RTR-020762; GALOP; Q-201146; SR-05000001537-1; DSSTox_CID_650; 3,4,5-Trihydroxybenzoic acid monohydrate, ACS, 98.0% min. 100g; 3,4,5-Trihydroxybenzoic acid ion; GALLICACID; s4603; CHEMBL288114; Gallic acid, tech.; NSC20103; 3,4,5-Trihydroxybenzoic acid; NSC755825; G0011; AB1002218; Gallic Acid, F; MolPort-000-881-260; NSC 674319; SPBio_000617; LNTHITQWFMADLM-UHFFFAOYSA-M; Spectrum_000342; PS-8710; SC-46383; FT-0626592; BBL009937; MFCD00002510; SpecPlus_000307; 3,4,5-trihydroxy-Benzoate; SCHEMBL15012; DSSTox_GSID_20650; ST083487; SR-05000001537; 3,5-Trihydroxybenzoic acid; 3,4,5-Trihydroxybenzoate, X; Tox21_111089_1; Gallic acid (Monohydrate or Anhydrous) (3,4,5-Trih; 3,4,5-Trihydroxybenzoic acid;; Z966690556; 3,4,5-Trihydroxybenzoate; SDCCGMLS-0066503.P001; Pyrogallol-5-carboxylic acid; BC200279; Spectrum2_000399; HY-N0523; HSDB 2117; AC1Q732Y; DTXSID0020650; 5-Trihydroxybenzoic acid; AKOS000119625; NSC 20103; Gallic acid, tech; 138-57-8; NSC-20103; AIDS-001349; gallate; CPD-183; Spectrum3_000254; KBio2_000822; Gallic acid monohydrate; AIDS-059239; KBio3_001168; Gallic acid, tech.; NSC20103; 3,4,5-Trihydroxybenzoic acid; InChI=1/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12; C01424; CHEBI:30778; EINECS 205-749-9; CHEBI:16918; NCGC00091125-01; c0006; J3.617.291F; SPECTRUM210369; Benzoic acid, 3,4,5-trihydroxy-; DivK1c_006403; NSC 674319; SPBio_000617; LNTHITQWFMADLM-UHFFFAOYSA-M; Spectrum_000342; Spectrum5_000108; NCGC00091125-02; BRN 2050274; Oprea1_087792; NCGC00091125-03; 3-10-00-02070 (Beilstein Handbook Reference); SpecPlus_000307; Kyselina 3,4,5-trihydroxybenzoova [Czech]; KBioGR_002008; AI3-16412; NSC674319; pyrogallol-5-carboxylate; 3,4,5-tris(oxidanyl)benzoate; AIDS001349; KBio2_003390; Gallic acid polymer; 1886-EP2374526A1; ZB000350; Gallic acid; BSPBio_001668; KBio2_005958; AIDS059239; CCRIS 5523; 3,4,5-Trihydroxybenzoate; SDCCGMLS-0066503.P001; Pyrogallol-5-carboxylic acid; A808977; 27645_RIEDEL; KBio1_001347; 398225_SIAL; Kyselina gallova [Czech]; WLN: QVR CQ DQ EQ; Spectrum2_000399; HSDB 2117; G7384_SIGMA; KBioSS_000822; GALOP; AC1NEVA5; SBB008781; 3,4,5-Trihydroxybenzoic acid monohydrate, ACS, 98.0% min. 100g; NSC 20103; 3,4,5-Trihydroxybenzoic acid ion; 149-91-7; 3,4,5-trihydroxybenzoic acid; Galllic acid | C7H6O5 | 170.12 | C1=C(C=C(C(=C1O)O)O)C(=O)O |
| TCMBANKIN058066 | Tannic acid (Corilagin) | 1,3,6-Tri-O-galloyl-b-D-glucose; Glucopyranose, 1,3,6-trigallate, gallotannin, gallotannins, beta-D-; 3,4,5-trihydroxybenzoic acid [(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-[oxo-(3,4,5-trihydroxyphenyl)methoxy]-6-[[oxo-(3,4,5-trihydroxyphenyl)methoxy]methyl]-4-tetrahydropyranyl] ester; .beta.-D-Glucopyranose 1,3,6-trigallate; .beta.-D-Glucopyranose, 1,3,6-tris(3,4,5-trihydroxybenzoate); 1,3,6-Tri-O-galloyl-b-D-glucopyranose; 1,3,6-Trigalloyl-beta-glucose; beta-D-Glucopyranose, 1,3,6-tris(3,4,5-trihydroxybenzoate); [(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-(3,4,5-trihydroxybenzoyl)oxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]tetrahydropyran-4-yl] 3,4,5-trihydroxybenzoate; MEGxp0_001387; [(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-(3,4,5-trihydroxybenzoyl)oxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-4-yl] 3,4,5-trihydroxybenzoate; [(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-(3,4,5-trihydroxyphenyl)carbonyloxy-6-[(3,4,5-trihydroxyphenyl)carbonyloxymethyl]oxan-4-yl] 3,4,5-trihydroxybenzoate; Glucopyranose, 1,3,6-trigallate, .beta.-D-; AIDS002286; AIDS-002286; ACon1_002062; beta-D-Glucopyranose 1,3,6-trigallate; 3,4,5-trihydroxybenzoic acid [(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-(3,4,5-trihydroxybenzoyl)oxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]tetrahydropyran-4-yl] ester; Quebracho; (1S,18R,20S,21S,22S)-6,7,8,11,12,13,21,22-octahydroxy-3,16-dioxo-2,17,19-trioxatetracyclo[16.3.1.0;{4,9}.0;{10,15}]docosa-4(9),5,7,10,12,14-hexaen-20-yl 3,4,5-trihydroxybenzoate; gallotannin | C76H52O46 | 636.5 g/mol | C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O |
| TCMBANKIN058067 | 1,2,6-tri-O-galloyl-β-D-glucose;1,2,6-trigalloylglucose;1,2,6-tri-o-galloyl-glucose;1,2,6-tri-o-galloyl-beta-d-glucopyranoside | 1,2,6-tri-o-galloyl-β-d-glucose | 470.76 | C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)O | |
| TCMBANKIN058069 | 1,2,3,6-Tetragalloylglucose | [(2S,3R,4S,5R,6R)-5-hydroxy-2,3-bis[(3,4,5-trihydroxyphenyl)carbonyloxy]-6-[(3,4,5-trihydroxyphenyl)carbonyloxymethyl]oxan-4-yl] 3,4,5-trihydroxybenzoate; 79886-50-3; 1,2,3,6-Tetra-O-galloyl-B-D-glucose; 1,2,3,6-Tgg; beta-D-Glucopyranose, 1,2,3,6-tetrakis(3,4,5-trihydroxybenzoate); 1,2,3,6-tetrakis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose; 3,4,5-trihydroxybenzoic acid [(2S,3R,4S,5R,6R)-5-hydroxy-2,3-bis[oxo-(3,4,5-trihydroxyphenyl)methoxy]-6-[[oxo-(3,4,5-trihydroxyphenyl)methoxy]methyl]-4-tetrahydropyranyl] ester; AIDS-070890; 1,2,3,6-Tetra-O-galloyl-beta-D-glucose; [(2S,3R,4S,5R,6R)-5-hydroxy-2,3-bis[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]tetrahydropyran-4-yl] 3,4,5-trihydroxybenzoate; MEGxp0_001175; CHEBI:17527; AIDS070890; [(2S,3R,4S,5R,6R)-5-hydroxy-2,3-bis[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-4-yl] 3,4,5-trihydroxybenzoate; 3,4,5-trihydroxybenzoic acid [(2S,3R,4S,5R,6R)-5-hydroxy-2,3-bis[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]tetrahydropyran-4-yl] ester; C04516; 1,2,3,6-Tetrakis-O-galloyl-beta-D-glucose; ACon1_000379; 1,2,3,6-tetragalloylglucose; 1,2,3,6-tetra-O-galloyl-β-D-glucose; 1,2,3,6-tetra-O-galloyl-β-D-glucopyranose; 1,2,3,6-Tetragalloylglucose; 1,2,3,6-tetra-o-galloyl-beta-d-glucopyranoside; 1,2,3,6-tetra-o-galloyl-beta-d-glucose; 1,2,3,6-tetra-o-galloyl-β-d-glucose; 1, 2, 3, 6-tetra-o-galloyl-beta-d-glucopyranoside | C34H28O22 | 788.6 g/mol | C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O |
| TCMBANKIN058070 | 1,2,3,4,6-pentagalloylglucose | Pentagalloylglucose; DB03208; [(2S,3R,4S,5S,6S)-3,4,5,6-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]tetrahydropyran-2-yl]methyl 3,4,5-trihydroxybenzoate; [(2S,3R,4S,5S,6S)-3,4,5,6-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate; AC1L9JR6; 1, 2, 3, 4, 6-pentagalloylglucose; ZINC169301047 | C41H32O26 | 940.7 g/mol | C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O |
| TCMBANKIN058100 | 2,3-o-(s)-hexahydroxydiphenoyl-d-gluco-pyranose | 2,3-hexahydroxydiphenyl-D-glucose | C20H18O14 | 482.3 g/mol | C1=C2C(=C(C(=C1O)O)O)C3=C(C(=C(C=C3C(=O)OC4C(C(C(OC4O)CO)O)OC2=O)O)O)O |
| TCMBANKIN058109 | Pyrogallic acid | PYG;1,2,3-Benzenetriol; Benzene, 1,2,3-trihydroxy-; 1,2,3-Trihydroxybenzene; BRN 0907431; Pyro; Piral; AIDS-002956; Fouramine Brown AP; ZINC00330141; P0381_SIGMA; 1,2,3-TRIHYDROXY-BENZENE; SMR000471842; 2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-TRIETHYLETHANAMINIUM]; WLN: QR BQ CQ; 1,2,3-Trihydroxybenzen; 1,2,3-Trihydroxybenzen [Czech]; CI Oxidation Base 32; AIDS082397; Pyrogallol polymer; AIDS-082397; CCRIS 1940; Fourrine 85; C.I. 76515; fouramine base ap; InChI=1/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9; AIDS002956; Pyrogallic acid; C.I. Oxidation Base 32; AI3-00709; C01108; 254002_SIAL; Pyrogallol solution; CI 76515; HSDB 794; 87-66-1; CHEBI:16164; 83135_FLUKA; GMN; MLS001066376; Pyrogallol; C.I. Oxidation Base 32; 16040_RIEDEL; PYROP; Fourrine PG; 4-06-00-07327 (Beilstein Handbook Reference); BENZENE-1,2,3-TRIOL; NCGC00091507-01; AB-131/40221933; NSC5035; EINECS 201-762-9; c0025; NSC 5035;pyrogallol;Gallic phenol | C6H6O3 | 126.11 g/mol | C1=CC(=C(C(=C1)O)O)O |
| TCMBANKIN058213 | kaemferol;kampferol;kaempferol;campherol | TNP00039; nchembio.2007.28-comp30; Kaempherol; 5-18-05-00251 (Beilstein Handbook Reference); Prestwick2_001098; CHEBI:28499; Prestwick1_001098; CAS-520-18-3; BRN 0304401; Flavone, 3,4',5,7-tetrahydroxy-; ST030560; MEGxp0_001283; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol; C.I. 75640; Swartziol; K0133_SIGMA; kaempferol oxoanion; NCGC00016480-01; 60010_FLUKA; EINECS 208-287-6; Pelargidenon; Nimbecetin; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-chromenone; NSC 407289; 3,4',5,7-Tetrahydroxyflavone; HSCI1_000027; Pelargidenolon 1497; NSC407289; Robigenin; C05903; CPD1F-90; Kampferol; NSC 656277; Prestwick0_001098; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one; Populnetin; Kampcetin; Prestwick3_001098; AIDS-001404; ZINC00137345; kaempferol ; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-olate; 3,4′,5,7-Tetrahydroxyflavone; Rhamnolutein; NCGC00016480-02; ACon1_001867; NSC656277; 3,4′,5,7-Tetrahydroxyflavone; BSPBio_001176; SPBio_003058; Oprea1_650954; 5,7,4'-Trihydroxyflavonol; 4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)- (9CI); Campherol; 520-18-3; 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE; S00111; Trifolitin; Kampherol; AI3-36096; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromone; Indigo yellow; Pelargidenolon; AIDS001404; nchembio718-comp14; NCGC00091036-01; Flavone, 3,4',5,7-tetrahydroxy- (7CI,8CI); CHEBI:58573; Kaemferol; Kempferol; BPBio1_001294; 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; Rhamnolutin; 3,5,7-triOH-Flavone; KMP; CCRIS 41; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)- | C15H10O6 | 286.24 g/mol | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
| TCMBANKIN058215 | kaempferol-3-o-beta-d-glucoside | kaempferol-3-O-β-D-glucopyranoside;Kaempferol-3-glucoside;astragalin;Kaempferol-3-o- glucoside;kaempferol 3-glucoside;Kaempferol 3-O-glucoside;kaempferol-3-o-glucoside;5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl beta-D-glucopyranoside; Kaempferol-3-O-.beta.-D-glucopyranoside; Kaempferol-3-beta-glucopyranoside; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; NCGC00163580-01; 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-; Astragaline; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; Kaempferol-3-D-glucoside; 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; MEGxp0_000168; Kaempferol-3-beta-monoglucoside; Kaempferol-3-O-glucoside; 3,4',5,7-Tetrahydroxyflavone-3-glucoside; 480-10-4; ACon1_001224; SCHEMBL23898; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; AIDS-051935; AIDS051935; CHEBI:30200; LMPK12111725; Kaempferol 3-O-beta-D-glucopyranoside; C12249; Astragalin; Kaempferol 3-O-glucoside; Kaempferol 3-glucoside; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; Kaempferol 3-O-beta-D-glucoside; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone;kaempferol-3-β-D-glucopyranoside;Kaempferol-3-O-β-D- glucopyranoside; kaempferol-3-o-beta-d-glucopyranoside;kaempferol-3-O-β-D-glucoside; Kaempferol-3-o-β-D- glucoside; Kaempferol- 3-O-β-D-glucoside | C21H20O11 | 448.38 | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O |
| TCMBANKIN058293 | BOX | FEMA No. 2131; Benzenemethanoic acid; Retardex; Caswell No. 081; LS-280; Benzeneformic acid; benzoic acid; 1863-63-4 (AMMONIUM SALT); E 210; 65-85-0; 109479_SIAL; benzenecarboxylic acid; Benzoic acid (TN); NSC7918 (AMMONIUM SALT); AI3-03710; WLN: QVR; BEZ; 582-25-2 (POTASSIUM SALT); Kyselina benzoova; 33047_RIEDEL; C00180; Flowers of benzoin; HSDB 704; W213128_ALDRICH; ST5213864; nchembio.2007.22-comp2; C03096; D00038; B8027_SIGMA; Kyselina benzoova [Czech]; InChI=1/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9; EPA Pesticide Chemical Code 009101; Benzoesaeure [German]; Benzoesaeure; 18102_RIEDEL; Benzoic acid [USAN:JAN]; W213101_ALDRICH; 8013-63-6; Dracylic acid; Unisept BZA; AIDS-018010; phenylformic acid; Benzoic acid (JP15/USP); 47849_SUPELCO; Retarder BA; Aromatic hydroxy acid; B2670_SIGMA; CHEBI:30746; B2920_SIGMA; Mettler Toledo Calibration substance ME 18555, Benzoic acid; CCRIS 1893; Benzoesaeure GV; Acido benzoico [Italian]; Benzoic acid (natural); NSC149; Benzoic acid-ring-UL-14C; Benzoesaeure GK; Acide benzoique; Flowers of benjamin; Benzoic acid, tech.; AI3-0310; HA 1 (acid); Salvo liquid; Acide benzoique [French]; 12353_FLUKA; Tenn-Plas; Carboxybenzene; 242381_SIAL; Salvo, liquid; AIDS018010; Phenylcarboxylic acid; NCGC00091886-01; Solvo powder; 427608_ALDRICH; Benzoic acid (7CI,8CI,9CI); 33045_RIEDEL; HA 1; 73983_FLUKA; Solvo, powder; Benzoate (VAN); NSC 149; EINECS 200-618-2;benzenecarboxylic acid | C7H6O2 | 122.12 | C1=CC=C(C=C1)C(=O)O |
| TCMBANKIN058351 | phenethyl alcohol | 12472-EP2311801A1; CHEBI:49000; .beta.-Fenylethanol; ACMC-1AZIH; HMS2093H05; ML9LGA7468; Phenylethyl alcohol; Q-200318; Methanol, benzyl-; BC213746; b-pea; Mellol; NSC 406252; DSSTox_CID_6342; SC-46713; CAS_60-12-8; 47427-EP2374783A1; 196135-EP2277872A1; 66877-EP2298772A1; beta-Phenylethyl alcohol; 1321-27-3; AC1Q1HG6; SR-01000763553-2; phenyl-ethanol; KB-59529; .beta.-Fenethylalkohol; .beta.-Hydroxyethylbenzene; DSSTox_GSID_26342; beta-Phenylethanol; AC-18484; 47427-EP2308877A1; 66877-EP2270505A1; AKOS000249688; NCGC00257347-01; ANW-13578; SCHEMBL1838; Benzeneethanol; Phenethyl alcohol; FEMA 2858; I01-4509; .beta.-Phenylethanol; NSC-759116; 2-PHENYLETHANOL; LS-2335; AK-59815; Z234896351; 2-Phenylethanol, 98% 250g; BDBM85807; Benzyl carbinol; 2-PEA; benzene-ethanol; Benzenethanol; 12472-EP2316826A1; 2-PhenyIethanol; Phenethylalcohol; 66877-EP2292612A2; AB00698274_05; AC1L1LP9; Phenylethyl Alcohol, Pharmaceutical Secondary Standard; Certified Reference Material; 37330-EP2284157A1; Phenyl ethyl alcohol; 2-phenyl-1-ethanol; AN-23631; .beta.-PEA; FT-0613332; 2-phenyl ethanol; NCGC00166215-03; AC1Q7CJQ; Phenethyl alcohol, 8CI, BAN; MLS001066349; .beta.-Phenethanol; 0DE4CADC-AB8A-4038-BD6F-EBD009885652; DB02192; beta-Fenylethanol; NSC-406252; RTR-037232; 66877-EP2295406A1; HMS2233H06; NCGC00258874-01; EC 200-456-2; Pharmakon1600-01505398; S992; NCGC00166215-01; SR-01000763553; .beta.-Phenylethyl alcohol; NE10237; SBI-0206858.P001; EBD2219942; BRN 1905732; UNII-ML9LGA7468; 66877-EP2308839A1; CS-B1821; SBB040879; PHENYLETHYL, B- ALCOHOL; NSC759116; P0084; 47427-EP2311834A1; AS00558; Tox21_201322; EINECS 200-456-2; .beta.-P.E.A.; MCULE-8439044075; NSC_6054; 53355-62-7; Ethanol, 2-phenyl-; 37330-EP2311802A1; NCGC00166215-02; KS-00000WSD; beta -hydroxyethylbenzene; Tox21_113544; ST50214476; Phenylethyl alcohol (USP); 37330-EP2311803A1; MolPort-000-872-041; 47427-EP2295427A1; DTXSID9026342; Benzeneethanol, 9CI; .beta.-Phenethyl alcohol; Phenylethyl alcohol [USP]; 196135-EP2272973A1; NSC406252; FEMA Number 2858; Phenyl Ethanol(Natural); Benzyl-Methanol; WRMNZCZEMHIOCP-UHFFFAOYSA-N; STL281950; NCGC00166215-05; AC1Q7CJR; 47427-EP2295426A1; 2-Phenylethanol, >=99.0% (GC); Phenylethyl alcohol, United States Pharmacopeia (USP) Reference Standard; 2-Phenylethyl alcohol; ZB015067; Caswell No. 655C; HSDB 5002; WLN: Q2R; Phenylethanol; beta-Fenylethanol [Czech]; beta-Fenethylalkohol [Czech]; Tox21_113544_1; STOCK1N-73254; EN300-19347; KSC237A2B; Rose oil (Salt/Mix); 2-hydroxy-1-phenylethyl; Phenylethyl, beta- alcohol; 2-Hydroxyethylbenzene; 37330-EP2371814A1; 2-Phenethyl alcohol; 47427-EP2305673A1; 2-Phenylethanol, USP; MFCD00002886; CAS-60-12-8; TR-037232; Phenethyl alcohol, >=99%, FCC, FG; 196135-EP2272972A1; C05853; A832606; 2-Phenethanol; 66877-EP2281823A2; W6811; Benzylmethanol; CHEMBL448500; beta-PEA; bmse000659; EPA Pesticide Chemical Code 001503; 2-PHENYL-ETHANOL; PEL; 2-Phenylethanol, 99%; 4-06-00-03067 (Beilstein Handbook Reference); 1-Phenyl-2-ethanol; AI3-00744; D00192; beta-Fenethylalkohol; Hydroxyethylbenzene; Tox21_303383; 12472-EP2372017A1; Benzylcarbinol; betaphenylethyl alcohol; 12472-EP2287158A1; FEMA No. 2858; 2-(2-Hydroxyethyl)benzene; 2-Phenylethan-1-Ol; Benzyl ethyl alcohol; Phenethanol; DSSTox_RID_78104; F0001-1575; Phenethyl alcohol, natural, >=99%, FCC, FG; CCG-213419; b-Hydroxyethylbenzene; HMS3374P04; ZINC895934; Phenylethyl alcohol, USAN; InChI=1/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H; SMR000059156; RL04267; MLS001336026; Phenethyl alcohol (natural); 1960/12/8; 66877-EP2298731A1 | C8H10O | 122.16 g/mol | C1=CC=C(C=C1)CCO |
| 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 |
| TCMBANKIN058411 | napthalene | Caswell No. 587; Naphthalene (molten); 91-20-3; NPY; 8,8-dimethyl-7,8-dihydropyrano[3,2-g]chromene-2,6-dione; 6,7-Dihydro-8,8-dimethyl-2h,8h-benzo(1,2-b:5,4-b')dipyran-2,6-dione; WEDGVCZUPFZNDE-UHFFFAOYSA-N; WLN: L66J; 8,8-Dimethyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromene-2,6-dione #; Naphthene; 48641_SUPELCO; 8,8-Dimethyl-7,8-dihydro-pyrano[3,2-g]chromene-2,6-dione; 13,13-DIMETHYL-4,14-DIOXATRICYCLO[8.4.0.0(3),?]TETRADECA-1,3(8),6,9-TETRAENE-5,11-DIONE; DTXSID10167830; NAPHTHALENE; HSDB 184; InChI=1/C14H12O4/c1-14(2)7-10(15)9-5-8-3-4-13(16)17-11(8)6-12(9)18-14/h3-6H,7H2,1-2H; nchembio791-comp1; Albocarbon; CHEBI:16482; NCI-C52904; 84679_FLUKA; NCGC00090793-01; Naftalen [Polish]; Naphthalene-UL-14C; Di(C5-C6)alkylnaphthalene; Naphthalene, di-C5-6-alkyl derivs.; Dezodorator; CCRIS 1838; NSC 37565; Naphtalene [ISO:French]; White tar; InChI=1/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8; 8,8-dimethyl-2H,6H,7H,8H-pyrano[3,2-g]chromene-2,6-dione; 6,7-Dihydro-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-2,6-dione; c0333; N3145_SIGMA; AI3-00278; 2,2-dimethyl-3H-pyrano[5,6-g]chromene-4,8-quinone; Moth balls; Naphthalene solution; NCGC00090793-02; NSC37565; Mighty RD1; Camphor tar; Mothballs; 16499-05-1; 40053_SUPELCO; 8,8-dimethyl-7,8-dihydropyrano[3,2-g]chromen-2,6-dione; Naphthaline; Naphthalene, crude or refined; Tar camphor; UN1334; Naphthalene, molten; 2H,6H-Benzo[1,2-b:5,4-b']dipyran-2,6-dione, 7,8-dihydro-8,8-dimethyl-; EINECS 202-049-5; Moth flakes; RCRA waste no. U165; Graveolone; NAPHTHALENE-RING; 48546_SUPELCO; AC1L42XS; Naphthalene, crude or refined [UN1334] [Flammable solid]; EPA Pesticide Chemical Code 055801; 8,8-Dimethyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromene-2,6-dione; UN2304; 147141_ALDRICH; Naphthalene [BSI:ISO]; RCRA waste number U165; Naphthalene, molten [UN2304] [Flammable solid]; Naftalen; CTK8H1786; 2,2-dimethyl-3H-pyrano[3,2-g]chromene-4,8-dione; NAPHTHYL GROUP; C00829; naphtalene; Mighty 150; 72931-45-4; 8,8-DIMETHYL-7H-PYRANO[3,2-G]CHROMENE-2,6-DIONE; N7394_SIGMA; Naphthalin; 6,7-Dihydro-8,8-dimethyl-2H,8H-benzo-(1,2b:5,4')-dipyran-2,6-dione; 184500_ALDRICH; Naphthalene, pure; 68412-25-9 | C10H8 | 128.17 g/mol | C1=CC=C2C=CC=CC2=C1 |
| TCMBANKIN058428 | isopsoralen | Sobatum; 2H-furo[2,3-h]chromen-2-one; (-)-; Furo[5',4':7,8]coumarin; 5-19-04-00447 (Beilstein Handbook Reference); 24-alpha-Ethylcholesterol; (24R)-Stigmast-5-en-3; Clionasterol; g-Sitosterol; ZINC6393492; A)-Stigmast-5-en-3-ol; NSC404563; 2H-Furo[2,3-h]-1-benzopyran-2-one; A-ol; delta5-Stigmasten-3-beta-ol; HSDB 3554; CHEBI:132823; EINECS 201-481-1; 24beta-Ethyl-5-cholesten-3beta-ol; 24S-Ethylcholest-5-en-3b-ol; CTK3E8527; Angelicin; Stigmast-5-en-3-beta-ol; 4-Hydroxy-5-benzofuranacrylic acid gamma-lactone; Angelicin (coumarin derivative); Poriferast-5-en-3beta-ol; Prostasal; CCRIS 4276; Isopsoralen; GAMMA-SITOSTEROL; AC-11107; .beta.-Dihydrofucosterol; furo[2,3-h]chromen-2-one; EINECS 201-480-6; angelicin ; (24S)-stigmast-5-en-3beta-ol; Betaprost; 24b-Ethylcholesterol; Stigmast-5-en-3-ol, (3.beta.,24S)-; 22,23-Dihydroporiferasterol; 39310-13-9; NSC 8096; Stigmast-5-en-3; 24-ethylcholest-5-en-3 beta-ol; Angelicin (coumarin deriv); ST023306; A-Ethylcholesterol; .gamma.-Sitosterol; KZJWDPNRJALLNS-OAIXMFQVSA-N; 24S-Ethylcholest-5-en-3.beta.-ol; beta-Dihydrofucosterol; Stigmast-5-en-3-ol, (3beta,24S)-; Oprea1_022970; C19654; CHEMBL393008; 2H-Furo(2,3-h)(1)benzopyran-2-one; (3-beta)-Stigmast-5-en-3-ol; ZINC00073700; AI3-26020; stigmast-5-ene-3beta-ol; LMST01040122; NSC 404563; 11027-08-0; NSC 18173; 8005-42-3; Angelicin plus ultraviolet A radiation [Angelicins]; b-Dihydrofucosterol; CCRIS 5529; (3beta,24S)-Stigmast-5-en-3-ol; CHEBI:28928; 24.beta.-Ethyl-5-cholesten-3.beta.-ol; BRN 0153970; 24.beta.-Ethylcholesterol; 24beta-Ethylcholesterol; (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; Furo(5',4':7,8)coumarin; 4736-89-4; A-Sitosterol; AC1L9X94; 2-Propenoic acid, 3-(4-hydroxy-5-benzofuranyl)-, .delta.-lactone; 2-furo[2,3-h]chromenone; Furo(2,3-h)coumarin; 2-Propenoic acid, 3-(4-hydroxy-5-benzofuranyl)-, delta-lactone; 3-(4-Hydroxy-5-benzofuranyl)-2-propenoic acid gamma-lactone; isopsoralen; 2H-Furo(2,3-H)-1-benzopyran-2-one; 5LI01C78DD; A0956_SIGMA; Angecin; Ambotz83-46-5; 24b-Ethylcholest-5-en-3b-ol; 24S-Ethylcholest-5-en-3beta-ol; UNII-5LI01C78DD; 523-50-2; 2-Oxo-(2H)-furo(2,3-h)-1-benzopyran; 83-47-6; Stigmast-5-en-3-ol, (3b,24S)-; Stigmast-5-en-3.beta.-ol, (24S)-; 5-Stigmasten-3; Fucosterol, .beta.-dihydro-; C09060; sitosterol, (3beta)-isomer; LS-1826; AKOS025401337; (24R)-Ethylcholest-5-en-3; SCHEMBL219424 | C11H6O3 | 186.16 g/mol | C1=CC2=C(C=CO2)C3=C1C=CC(=O)O3 |
| TCMBANKIN058518 | epigallocatechin | Spectrum5_000889; (2S,3R)-2-(3,4,5-Trihydroxyphenyl)-chroman-3,5,7-triol; 08108_FLUKA; KBio2_003854; KBioSS_001286; epi-Gallocatechin; (−)-Epigallocatechin; SPBio_000885; Epigallocatechol; (2S,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol; AIDS-001348; Spectrum_000806; NCI60_026204; BCBcMAP01_000207; (2S,3S)-(+)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol; MCULE-9338438267; CCRIS 5441; CHEBI:42255; Spectrum4_000950; 136892-45-0; (2R,3R)-2-(3,4,5-trihydroxyphenyl)chroman-3,5,7-triol; (3,3',4',5,5',7-Hexahydroxyflavan); (−)-cis-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol; SCHEMBL1972938; (+)-epigallocatechin; AIDS001348; KBio3_001136; SDCCGMLS-0066479.P001; EGC; 1-epi-3',4',5,5',7-Pentahydroxy-3-Flavan; NSC674039; 2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2R-cis)- (9CI); 970-74-1; E3768_SIAL; EPIGALLOCATECHIN; C12136; 2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2R-cis)-; KBio2_006422; Antiscurvy factor C2; NCGC00180795-01; SpecPlus_000269; Factor C2 (antiscurvy); (-)cis-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol; (-)-3,3',4',5,5',7-Flavanhexol; 98032-84-9; l-Epigallocatechol; MolPort-001-740-311; 3,3',4',5,5',7-Flavanhexol; BSPBio_001636; (-)-Epigallocatechol; (2S,3S)-2-(3,4,5-Trihydroxy-phenyl)-chroman-3,5,7-triol; (-)-Epigallocatechin; (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol; 3BC1BF1C-D95B-4EB2-943E-C1F59C7501A0; KBio1_001309; (2S,3S)-epigallocatechin; KBioGR_001540; SPECTRUM205113; ZINC3870339; CHEBI:71227; (2S,3S)-flavan-3,3',4',5,5',7-hexol; CHEMBL130415; (+)-epi-gallocatechin; NP-000358; Spectrum3_000248; (−)-cis-3,3′,4′,5,5′,7-Hexahydroxyflavane; 2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-3,5,7-TRIOL; (+)-cis-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol; Antiscurvy factor C(sub 2); 2545-09-7; ACon1_000192; SMP1_000114; KBio2_001286; L-Epigallocatechin; DivK1c_006365; (2S,3S)-2-(3,4,5-TRIHYDROXYPHENYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-3,5,7-TRIOL; Spectrum2_000703; (+)-cis-3,3',4',5,5',7-hexahydroxyflavane; BDBM50135171; (2S,3S)-flavan-3,5,7,3',4',5'-hexol;l-epigallocatechin | C15H14O7 | 306.27 | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O |
| TCMBANKIN058562 | Casuarictin | AIDS-001510; 1(beta)-O-Galloylpedunculagin; C10212; .beta.-D-Glucopyranose, cyclic 2,3:4,6-bis[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate] 1-(3,4,5-trihydroxybenzoate); casuarictin; Sanguiin h 11; 79786-00-8; AC1Q78IK; beta-D-Glucopyranose, cyclic 2,3:4,6-bis(4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 1-(3,4,5-trihydroxybenzoate), (2(S),4(S))-; 1(.beta.)-O-Galloylpedunculagin; AIDS001510; 1(beta)-o-galloylpedunculagin | C41H28O26 | 936.65 g/mol | C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O |
| TCMBANKIN058680 | pabulenol | 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-((2-hydroxy-3-methyl-3-butenyl)oxy)-, (R)-; DTXSID60187447; MLS002472950; pabulenol ; BVMOMQJYQYBMKL-LBPRGKRZSA-N; HMS2198I04; CHEMBL1870203; R-(+)-Pangelin; 33783-80-1; SMR001397058; 4-[[(R)-2-Hydroxy-3-methyl-3-butenyl]oxy]-7H-furo[3,2-g][1]benzopyran-7-one; Pangelin; {5-[2'(R)-Hydroxy-3'-methyl-3'-butenyl-oxy]furocoumarin}; 4-[(2S)-2-hydroxy-3-methylbut-3-enoxy]furo[3,2-g]chromen-7-one; 4-[(2S)-2-hydroxy-3-methylbut-3-enoxy]-7-furo[3,2-g]chromenone; 4-[(2S)-2-hydroxy-3-methyl-but-3-enoxy]furo[3,2-g]chromen-7-one; AIDS210292; AIDS-210292; {5-[2''(R)-Hydroxy-3''-methyl-3''-butenyl-oxy]furocoumarin} | C16H14O5 | 286.28 g/mol | CC(=C)C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O |
| TCMBANKIN058681 | 1,1-Dimethyl-2-(3-methyl-1,3-butadiene)-cyclo-propane | 1,1-dimethyl-2-(3-methyl-1,3-butadiene)-cyclo-propane; 1,1-dimethyl-2(3-methyl-1,3-butadienyl)-cyclopropane | C10H16 | 136.26 | CC(=C)C=CC1CC1(C)C |
| TCMBANKIN058705 | 23-hydroxy betulinic acid | Pulchinenoside A_qt;23-hydroxybetulinic acid | C30H48O3 | 456.7 g/mol | CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O |
| TCMBANKIN058807 | Alloisoimperatorin | 4-HYDROXY-9-(3-METHYLBUT-2-EN-1-YL)FURO[3,2-G]CHROMEN-7-ONE; Ambap35214-83-6; 4-hydroxy-9-(3-methylbut-2-enyl)-7-furo[3,2-g]chromenone; AC1NSVLJ; 4-hydroxy-9-(3-methylbut-2-enyl)furo[3,2-g]chromen-7-one; Alloisoimoeratorin; 35214-83-6; 4-Hydroxy-9-(3-methyl-2-butenyl)furo(3,2-g)chromen-7-one; 4-Hydroxy-9-(3-methyl-2-butenyl)-7H-furo[3,2-g]chromen-7-one #; alloisoimperatorin; alloisoimperatorin ; ZINC2563652; MolPort-044-754-195; ACM35214836; 4-Hydroxy-9-(3-methyl-2-butenyl)-7H-furo[3,2-g]chromen-7-one; JLCROWZWGSUEMR-UHFFFAOYSA-N | C16H14O4 | 270.28 g/mol | CC(=CCC1=C2C(=C(C3=C1OC=C3)O)C=CC(=O)O2)C |
| TCMBANKIN058810 | alloimperatorin | 9-Hydroxy-4-(3-methyl-2-butenyl)-7H-furo(3,2-g)(1)benzopyran-7-one; NSC 301051; DTXSID20214400; AC1Q6A0B; CHEBI:2599; 9-hydroxy-4-(3-methylbut-2-enyl)furo[3,2-g]chromen-7-one; KDXVVZMYSLWJMA-UHFFFAOYSA-N; ZINC898013; 9-Hydroxy-4-(3-methyl-2-butenyl)-7H-furo[3,2-g]chromen-7-one; 7H-Furo[3,2-g][1]benzopyran-7-one; 9-hydroxy-4-(3-methyl-2-butenyl)-; 642-05-7; UNII-3043NX3603; MCULE-9129731017; 9085AF; ST4140654; Alloimperatorin; 9-hydroxy-4-(3-methylbut-2-en-1-yl)-7H-furo[3,2-g]chromen-7-one; 5-Benzofuranacrylic acid, 6,7-dihydroxy-4-(3-methyl-2-butenyl)-, .delta.-lactone; allo-imperatorin; Prangenidin; 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-hydroxy-4-(3-methyl-2-butenyl)-; STK691969; AKOS000276831; 3043NX3603; BG00977034; SCHEMBL6272567; MolPort-000-880-983; AC1L2C0Q; 7H-Furo[3, 9-hydroxy-4-(3-methyl-2-butenyl)-; C09053; NSC301051; NSC-301051; alloimperalorin; | C16H14O4 | 270.28 g/mol | CC(=CCC1=C2C=CC(=O)OC2=C(C3=C1C=CO3)O)C |
| TCMBANKIN058840 | angelin | umbelliprenin2021/11/13; 532-16-1; (E,E)-7-((3,7,11-Trimethyl-2,6,10-dodecatrienyl)oxy)-2H-1-benzopyran-2-one; ZINC02126785; 7-[(2E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]coumarin; 7-(3,7,11-trimethyldodeca-2,6,10-trienoxy)coumarin; 7-[(2E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]-2-chromenone; 7-(3,7,11-trimethyldodeca-2,6,10-trienoxy)-2-chromenone; 7-(3,7,11-trimethyldodeca-2,6,10-trienoxy)chromen-2-one; A1784/0075600; 7-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]coumarin; 30413-87-7; 7-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]-2-chromenone; 7-[(2E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one; 7-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one | C24H30O3 | 366.5 g/mol | CC(=CCCC(=CCCC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)C)C |
| TCMBANKIN058905 | phel-lopterin | CHEMBL452751; CHEBI:80887; 4-Methoxy-9-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g]chromen-7-one #; 4-methoxy-9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one; ZINC1559986; FT-0698105; C17047; 2543-94-4; 4-methoxy-9-(3-methylbut-2-enoxy)-7-furo[3,2-g][1]benzopyranone; HMS2203M11; 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-methoxy-9-((3-methyl-2-butenyl)oxy)-; 4-Methoxy-9-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g]chromen-7-one; SMR000156210; PHELLOPTERIN(P); 4CN-3199; AK163810; 4-methoxy-9-(3-methylbut-2-enoxy)-7-furo[3,2-g]chromenone; cid_98608; 7H-Furo[3,2-g][1]benzopyran-7-one, 4-methoxy-9-[(3-methyl-2-butenyl)oxy]-; HMS3356N05; MolPort-009-015-193; NCGC00247535-02!4-methoxy-9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one; 4-METHOXY-9-[(3-METHYLBUT-2-EN-1-YL)OXY]FURO[3,2-G]CHROMEN-7-ONE; BDBM81058; NSC 152469; SCHEMBL2468854; NSC152469; NCGC00247535-01; MLS000574895; AE-641/05533037; DTXSID30180086; ST24048894; AC1L40AH; Phelloterin; 7H-Furo[3,2-g][1]benzopyran-7-one,4-methoxy-9-[(3-methyl-2-buten-1-yl)oxy]-; MCULE-3441916605; NSC-152469; phellopterin; AC1Q6AY6; BMLZFLQMBMYVHG-UHFFFAOYSA-N; AKOS024465013 | C17H16O5 | 300.3 g/mol | CC(=CCOC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)C |
| TCMBANKIN058906 | imperatorin | HY-N0285; I06-0320; 9-[(3-METHYL-2-BUTEN-1-YL)OXY]-7H-FURO[3,2-G][1]BENZOPYRAN-7-ONE; BDBM50308719; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(3-methyl-2-buten-1-yl)oxy]-; SpecPlus_000755; DSSTox_CID_28663; Imperatorin, European Pharmacopoeia (EP) Reference Standard; EINECS 207-581-1; ZB000436; KBio2_006371; SMR000156241; 9-[(3-Methyl-2-butenyl)oxy]-7H-furo[3,2-g]chromen-7-one #; AI3-61725; AC1L1UPZ; 9-(3-methylbut-2-enyloxy)furano[3,2-g]chromen-2-one; NCGC00095209-04; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)-; KBio1_001795; 9-(3-methylbut-2-enoxy)-7-furo[3,2-g][1]benzopyranone; 8-isopent-2-enyloxy-6,7-furanocoumarin; Marmelide; ACon1_001117; 6-Hydroxy-7-(3-methyl-2-butenyloxy)-5-benzofuranacrylic acid omega-lactone; (9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one); 9-[(3-Methyl-2-butenyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one, 9CI; Pentasalen, BAN; AC-8046; 9-[(3-methylbut-2-en-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one; 7H-Furo[3,2-g][1]benzopyran-7-one,9-[(3-methyl-2-buten-1-yl)oxy]-; Marmelosin; NCGC00095209-01; CAS-482-44-0; InChI=1/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H; 8-isopentenyloxypsoralen; Bio-0346; AN-8400; 5-Benzofuranacrylic acid, 6-hydroxy-7-((3-methyl-2-butenyl)oxy)-, delta-lactone; DivK1c_006851; 5-Benzofuranacrylic acid, 6-hydroxy-7-((3-methyl-2-butenyl)oxy)-, .delta.-lactone; CCG-38649; LS-70737; 9-(3-Methylbut-2-enyloxy)furo(3,2-g)chromen-7-one; ST45000841; HMS3354E04; SR-01000721772-2; 9-((3-methylbut-2-en-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one; 9-(3-Methylbut-2-enyloxy)-7H-furo(3,2-g)chromen-7-one; KBio3_001050; 9-[(3-Methyl-2-butenyl)-oxy]-7H-furo[3,2-g][1][benzopyran-7-one; 9-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g][1] benzopyran-7-one; NCGC00095209-06; Spectrum_000755; KBioGR_001864; HMS3261C08; Pentosalen; OLOOJGVNMBJLLR-UHFFFAOYSA-N; CTK5J8942; WLN: T C566 DO LVOTJ BO2UY1&1; C-16983; NCGC00095209-02; A827504; 9-[(3-methylbut-2-en-1-yl)oxy]-2H-furo[3,2-g]chromen-2-one; SPECTRUM102076; NSC402949; Imperatorin, >=98% (HPLC), powder; MEGxp0_000089; Marmelosin, analytical standard; NCGC00095209-03; FT-0603414; 9-[(3-Methylbut-2-enyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one; imperatorin ; 7H-Furo[3, 9-[(3-methyl-2-butenyl)oxy]-; 8-(3-Methyl-2-butenyloxy)psoralen; KBioSS_001235; K713N25C78; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(3-methyl-2-butenyl)oxy]-; SDCCGMLS-0066373.P001; 9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one; SCHEMBL50437; Tox21_500413; N1859; Spectrum2_000376; 9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one; MFCD00016881; MLS000574838; KBio2_001235; LP00413; API0002987; 9-(3-Methyl-2-butenyloxy)-7-oxofuro[3,2-g]chromene; Pentosalen [BAN]; Ammidin; Spectrum5_000244; DTXSID8048737; DSSTox_GSID_48737; 8-Prenyloxypsoralen; HSDB 3497; BG01563273; 8-Isoamylenoxypsoralen; NSC 402949; CHEMBL453805; CC-29497; Enoxypsoralen; 5-hydroxy-8-(1,1-dimethylallyl)psoralen; NSC-402949; 8-Isopentenyloxypsoralene; 9-(3-Methylbut-2-enyloxy)furo[3,2-g]chromen-7-one; Q-100532; I0904; 9-((3-Methyl-2-butenyl)oxy)-7H-furo(3,2-g)(1)benzopyran-7-one; 482-44-0; DSSTox_RID_82933; UNII-K713N25C78; TR-036857; W1274; Tox21_113179; NCGC00169661-02; IMPERATORIN; ZINC1904; HMS2218G08; SR-01000721772; Tox21_113179_1; SPBio_000531; CS-5800; KBio2_003803; MCULE-3248623364; Spectrum3_000145; HMS1922N22; CCRIS 4346; C09269; SC-16643; NCGC00095209-05; 482I440; NCGC00261098-01; NCGC00169661-01; MolPort-000-881-264; Oprea1_407817; AKOS000277029; Spectrum4_001422; 9-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g]-1-benzopyran-7-one; D09ROW; CHEBI:5885; CI0030; 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)-; 70102-00-0; BSPBio_001850; AIDS071128; MLS000574838; ZINC00001904; 9-(3-Methylbut-2-enyloxy)-7H-furo(3,2-g)chromen-7-one; KBio3_001050; SpecPlus_000755; Spectrum_000755; KBioGR_001864; KBio2_001235; EINECS 207-581-1; Pentosalen; SPBio_000531; KBio2_006371; SMR000156241; WLN: T C566 DO LVOTJ BO2UY1&1; Spectrum5_000244; KBio2_003803; AI3-61725; Spectrum3_000145; NCGC00095209-02; 9-(3-methylbut-2-enoxy)-7-furo[3,2-g]chromenone; CCRIS 4346; Imperatorin; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)-; SPECTRUM102076; HSDB 3497; C09269; AIDS-071128; KBio1_001795; 8-Isoamylenoxypsoralen; NSC 402949; NSC402949; MEGxp0_000089; ACon1_001117; 6-Hydroxy-7-(3-methyl-2-butenyloxy)-5-benzofuranacrylic acid omega-lactone; 8-Isopentenyloxypsoralene; 9-(3-Methylbut-2-enyloxy)furo[3,2-g]chromen-7-one; 9-[(3-methylbut-2-en-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one; KBioSS_001235; 9-((3-Methyl-2-butenyl)oxy)-7H-furo(3,2-g)(1)benzopyran-7-one; Oprea1_407817; 482-44-0; Spectrum4_001422; Marmelosin; NCGC00095209-01; SDCCGMLS-0066373.P001; InChI=1/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H; 9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one; ST5308976; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(3-methyl-2-butenyl)oxy]-; 5-Benzofuranacrylic acid, 6-hydroxy-7-((3-methyl-2-butenyl)oxy)-, delta-lactone; 5-Benzofuranacrylic acid, 6-hydroxy-7-[(3-methyl-2-butenyl)oxy]-, .delta.-lactone; DivK1c_006851; Spectrum2_000376; 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)-; 9-(3-Methylbut-2-enyloxy)furo(3,2-g)chromen-7-one; 70102-00-0; BSPBio_001850; HY-N0285; I06-0320; 9-[(3-METHYL-2-BUTEN-1-YL)OXY]-7H-FURO[3,2-G][1]BENZOPYRAN-7-ONE; BDBM50308719; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(3-methyl-2-buten-1-yl)oxy]-; SpecPlus_000755; DSSTox_CID_28663; Imperatorin, European Pharmacopoeia (EP) Reference Standard; EINECS 207-581-1; ZB000436; KBio2_006371; SMR000156241; 9-[(3-Methyl-2-butenyl)oxy]-7H-furo[3,2-g]chromen-7-one #; AI3-61725; AC1L1UPZ; 9-(3-methylbut-2-enyloxy)furano[3,2-g]chromen-2-one; NCGC00095209-04; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)-; KBio1_001795; 9-(3-methylbut-2-enoxy)-7-furo[3,2-g][1]benzopyranone; Marmelide; ACon1_001117; 6-Hydroxy-7-(3-methyl-2-butenyloxy)-5-benzofuranacrylic acid omega-lactone; (9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one); 9-[(3-Methyl-2-butenyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one, 9CI; Pentasalen, BAN; AC-8046; 9-[(3-methylbut-2-en-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one; 7H-Furo[3,2-g][1]benzopyran-7-one,9-[(3-methyl-2-buten-1-yl)oxy]-; Marmelosin; NCGC00095209-01; CAS-482-44-0; InChI=1/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H; 8-isopentenyloxypsoralen; Bio-0346; AN-8400; 5-Benzofuranacrylic acid, 6-hydroxy-7-((3-methyl-2-butenyl)oxy)-, delta-lactone; DivK1c_006851; 5-Benzofuranacrylic acid, 6-hydroxy-7-((3-methyl-2-butenyl)oxy)-, .delta.-lactone; CCG-38649; LS-70737; 9-(3-Methylbut-2-enyloxy)furo(3,2-g)chromen-7-one; ST45000841; HMS3354E04; SR-01000721772-2; 9-((3-methylbut-2-en-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one; 9-(3-Methylbut-2-enyloxy)-7H-furo(3,2-g)chromen-7-one; KBio3_001050; 9-[(3-Methyl-2-butenyl)-oxy]-7H-furo[3,2-g][1][benzopyran-7-one; NCGC00095209-06; Spectrum_000755; KBioGR_001864; HMS3261C08; Pentosalen; OLOOJGVNMBJLLR-UHFFFAOYSA-N; CTK5J8942; WLN: T C566 DO LVOTJ BO2UY1&1; C-16983; NCGC00095209-02; A827504; 9-[(3-methylbut-2-en-1-yl)oxy]-2H-furo[3,2-g]chromen-2-one; SPECTRUM102076; NSC402949; Imperatorin, >=98% (HPLC), powder; MEGxp0_000089; Marmelosin, analytical standard; NCGC00095209-03; FT-0603414; 9-[(3-Methylbut-2-enyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one; 7H-Furo[3, 9-[(3-methyl-2-butenyl)oxy]-; 8-(3-Methyl-2-butenyloxy)psoralen; KBioSS_001235; K713N25C78; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(3-methyl-2-butenyl)oxy]-; SDCCGMLS-0066373.P001; 9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one; SCHEMBL50437; Tox21_500413; N1859; Spectrum2_000376; 9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one; MFCD00016881; MLS000574838; KBio2_001235; LP00413; API0002987; 9-(3-Methyl-2-butenyloxy)-7-oxofuro[3,2-g]chromene; Pentosalen [BAN]; Ammidin; Spectrum5_000244; DTXSID8048737; DSSTox_GSID_48737; 8-Prenyloxypsoralen; HSDB 3497; BG01563273; 8-Isoamylenoxypsoralen; NSC 402949; CHEMBL453805; CC-29497; Enoxypsoralen; 5-hydroxy-8-(1,1-dimethylallyl)psoralen; NSC-402949; 8-Isopentenyloxypsoralene; 9-(3-Methylbut-2-enyloxy)furo[3,2-g]chromen-7-one; Q-100532; I0904; 9-((3-Methyl-2-butenyl)oxy)-7H-furo(3,2-g)(1)benzopyran-7-one; 482-44-0; DSSTox_RID_82933; UNII-K713N25C78; TR-036857; W1274; Tox21_113179; NCGC00169661-02; IMPERATORIN; ZINC1904; HMS2218G08; SR-01000721772; Tox21_113179_1; SPBio_000531; CS-5800; KBio2_003803; MCULE-3248623364; Spectrum3_000145; HMS1922N22; CCRIS 4346; C09269; SC-16643; NCGC00095209-05; 482I440; NCGC00261098-01; NCGC00169661-01; MolPort-000-881-264; Oprea1_407817; AKOS000277029; Spectrum4_001422; 9-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g]-1-benzopyran-7-one; D09ROW; CHEBI:5885; CI0030; 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)-; 70102-00-0; BSPBio_001850; Ammidin; imperatorine | C16H14O4 | 270.28 g/mol | CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C |
| TCMBANKIN058923 | paeonol | CBiol_000986; 2′-Hydroxy-4′-methoxyacetophenone; KBio3_002432; SPBio_002161; InChI=1/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H; Spectrum3_001686; 1-(2-hydroxy-4-methoxy-phenyl)ethanone; paeonol ; H35803_ALDRICH; ST5331356; NCGC00095977-01; SPECTRUM1601021; AIDS-002237; AIDS002237; Resacetophenone-4-methyl ether; 2-Hydroxy-4-methoxyacetophenone; Spectrum2_001981; Paeonol; 1-(2-Hydroxy-4-methoxyphenyl)ethanone; AI3-10581; BSPBio_003212; Peonol; 4-08-00-01793 (Beilstein Handbook Reference); C10712; 1-[2-hydroxy-4-(methyloxy)phenyl]ethanone; 2-Acetyl-5-methoxy-phenol; Acetophenone, 2'-hydroxy-4'-methoxy- (7CI,8CI); NSC 401442; Paeonal; SDCCGMLS-0066845.P001; ZINC00001906; Resacetophenone, 4-O-methyl ester; Ethanone, 1-(2-hydroxy-4-methoxyphenyl)-; 4-O-Methylresacetophenone; Acetophenone, 2'-hydroxy-4'-methoxy-; 2-hydroxy-4-methoxyacetophenone; 2'-Hydroxy-4'-methoxyacetophenone; ICCB4_000282; BRN 1282794; EINECS 209-012-2; Ethanone, 1-(2-hydroxy-4-methoxyphenyl)- (9CI); 552-41-0; 2'-hydroxy-4'-methoxyacetophenone; NSC401442; KBio3_002432; Paeonol (Peonol); CHEMBL1079227; SPECTRUM1601021; AKOS000119646; RTC-067540; M-2917; UILPJVPSNHJFIK-UHFFFAOYSA-N; Resacetophenone-4-methyl ether; BBL012127; 1-(2-Hydroxy-4-methoxyphenyl)ethanone; ST45027685; 1-(2-hydroxy-4-methoxyphenyl)ethane-1-one; UNII-3R834EPI82; Resacetophenone, 4-O-methyl ester; 4CN-0677; SR-05000002397-1; EINECS 209-012-2; FT-0618875; 2-acetyl-5-methoxyphenol; Ethanone, 1-(2-hydroxy-4-methoxyphenyl)- (9CI); 552-41-0; AC1Q48VO; TRA0005840; SY013508; MCULE-2846207321; Paeonolum; 1-(2-hydroxy-4-methoxyphenyl)-ethanone; AB0044007; MolPort-001-537-637; SCHEMBL1449478; CCG-39471; AN-1408; 2;-Hydroxy-4;-methoxyacetophenone; CP0063; KSC490C8B; HMS3656E07; C10712; 1-[2-hydroxy-4-(methyloxy)phenyl]ethanone; AC1Q48VN; ACN-027221; SDCCGMLS-0066845.P001; KB-146762; FT-0602529; MLS006011902; CHEBI:69581; SMR000112386; Acetophenone, 2'-hydroxy-4'-methoxy-; 2'-Hydroxy-4'-methoxyacetophenone; CTK3J0180; AM20040702; BB_SC-2796; CBiol_000986; BRD-K94239562-001-02-2; InChI=1/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H; AS05193; Q-100626; 1-(2-Hydroxy-4-methoxyphenyl)ethanone #; HY-N0159; STK078097; I06-0541; MFCD00008730; NSC-401442; 3R834EPI82; KS-000004VU; PubChem3271; AK-79421; SR-05000002397; 1-(2-hydroxy-4-methoxy-phenyl)-ethanone; TC-067540; 4-Methoxy-2-hydroxyacetophenone; Acetophenone, 2'-hydroxy-4'-methoxy- (7CI,8CI); LS-101156; AJ-08110; 552H410; Paeonal; NSC 401442; SC-05288; N1847; 1-(2-hydroxy-4-methoxyphenyl)ethan-1-one; BDBM50310718; AS-15489; 4-O-Methylresacetophenone; NCGC00095977-02; ICCB4_000282; ACT07801; NSC401442; SPBio_002161; AC1L1WLK; Spectrum3_001686; 1-(2-hydroxy-4-methoxy-phenyl)ethanone; 4-methoxy 2-hydroxy acetophenone; ACMC-209lls; s2339; ST24021015; NCGC00095977-01; PAEONOL; ANW-32270; 2-HYDROXY-4-METHOXYACETOPHENONE (4,4,4-D3); 2-Hydroxy-4-methoxyacetophenone; Spectrum2_001981; AI3-10581; BSPBio_003212; Peonol; 4-08-00-01793 (Beilstein Handbook Reference); 2-Acetyl-5-methoxy-phenol; 1-acetyl-2-hydroxy-4-methoxybenzene; NCGC00095977-03; CJ-00070; Ethanone, 1-(2-hydroxy-4-methoxyphenyl)-; DTXSID1022059; AC-7982; BRN 1282794; SBB066134; ZINC1906; ACN-S003528; 4'-Methoxy-2'-hydroxyacetophenone; 1-(4-Methoxy-2-hydroxy-phenyl)-ethanone; RP02462; P565; 2'-Hydroxy-4'-methoxyacetophenone, 99%; ethanone,1-(2-hydroxy-4-methoxyphenyl)-; peonol; Ethanone,1-(2- Hydroxy- 4- methoxyphenyl); 1-(2-hydroxy-4-methoxyphenyl)-ethanone; paeonal | C9H10O3 | 166.17 g/mol | CC(=O)C1=C(C=C(C=C1)OC)O |
| TCMBANKIN059062 | acetoin | (3S)-3-oxidanylbutan-2-one; A828564; AC1L9L7E; 1p28; (+)-acetoin; R,3-HYDROXYBUTAN-2-ONE; 78183-56-9; CTK2G5620; (3S)-3-hydroxy-2-butanone; (S)-Acetoin; HBS; S,3-HYDROXYBUTAN-2-ONE; (3S)-3-hydroxybutan-2-one; (S)-acetylmethylcarbinol; AJ-24161; (S)-2-Acetoin; UNII-BG4D34CO2H component ROWKJAVDOGWPAT-VKHMYHEASA-N; L-(+)-acetoin; ZINC895238; 2-Butanone, 3-hydroxy-, (3S)-; C01769; CHEBI:15687; DB02788;3-hydroxy-2-butanone;Acetyl methyl carbinol;3-Hydroxybutan-2-One | C4H8O2 | 88.11 g/mol | CC(C(=O)C)O |
| TCMBANKIN059070 | BU3 | 237639_ALDRICH; C03044; ZINC00901616; CHEBI:16982; (2R,3R)-butane-2,3-diol; (2R,3R)-(−)-2,3-Butanediol; NSC15829;2,3-butanediol;(2R,3R)-(-)-2,3-Butanediol, 97%; 32399-EP2301933A1; CHEBI:16982; OWBTYPJTUOEWEK-QWWZWVQMSA-N; 2,3-Butanediol, (R*,R*)-(+-)-; 2,3-Butanediol, (-)-; AKOS015907648; RTR-011239; Levo-2,3-Butanediol; FT-0604653; (R,R)-2,3-butanediol; AC1Q59P8; TR-011239; D-(-)-2,3-Butanediol; NSC15829; (R,R)-(-)-Butane-2,3-diol; L-(-)-2,3-Butanediol; CTK2F5358; OR02B2286A; NSC-15829; C03044; UNII-TMS4MGA0H4 component OWBTYPJTUOEWEK-QWWZWVQMSA-N; KB-03485; 24347-58-8; (2R,3R)-butane-2,3-diol; (2R,3R)-rel-2,3-Butanediol; BU3; AC1L5EEH; UNII-OR02B2286A; AKOS016015450; RP18534; (2R, 3R)-(-)-2,3-butanediol; AK-84477; ST24033981; (2r,3r)-butan-2,3-diol; (2R*,3R*)-2,3-dihydroxybutane; ZINC901616; (R,R)-(-)-2,3-Dihydroxybutane; (2R, 3R)(-)-2,3-butanediol; (-)-(r,r)-2,3-butanediol; (R,R)-(-)-2,3-Butylene Glycol; MolPort-003-927-419; (R,R)-2,3-Butylene glycol; (2R,3R)-(+)-2,3-butanediol; UNII-45427ZB5IJ component OWBTYPJTUOEWEK-QWWZWVQMSA-N; ANW-25408; I14-2853; J-506903; (R,R)-Butane-2,3-diol; (2R,3R)-(-)-2,3-Butanediol; 32399-EP2311827A1; EINECS 246-186-9; BP-30189; J-500969; (2R,3R)-2,3-butanediol; (r,r)-2,3 butanediol; (-)-(2R,3R)-Butanediol; KS-00000V6N; AJ-24368; (-)-2,3-butanediol; UNII-6510BGK6C5 component OWBTYPJTUOEWEK-QWWZWVQMSA-N; 2,3-Butanediol #; AC-26496; 347B588; (R,R)-(-)-2,3-Butanediol; D(-)-2,3-butanediol; A817243; TL8002002; MFCD00064267; 2,3-Butanediol, threo-; 6982-25-8; DB-009316; FT-0696715; 2,3-Butanediol, [R-(R*,R*)]- | C4H10O2 | 90.12 | CC(C(C)O)O |
| TCMBANKIN059084 | Byakangelicin | (R)-9-(2,3-Dihydroxy-3-methylbutoxy)-4-methoxy-7H-furo(3,2-g)(1)benzopyran-7-one; 9-[(2S)-2,3-dihydroxy-3-methylbutoxy]-4-methoxyfuro[3,2-g]chromen-7-one; 9-[(2R)-2,3-dihydroxy-3-methylbutoxy]-4-methoxy-7-furo[3,2-g]chromenone; 9-[(2R)-2,3-dihydroxy-3-methylbutoxy]-4-methoxyfuro[3,2-g]chromen-7-one; C09141; 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-, (R)-; 9-(2,3-Dihydroxy-3-methylbutoxy)-4-methoxy-7H-furo(3,2-g)(1)benzopyran-7-one; Byak-angelicin; Bjacangelicin; MLS000574875; Bjakangelicin; PKRPFNXROFUNDE-NSHDSACASA-N; SMR000156212; Biacangelicin; 7H-FURO(3,2-g)(1)BENZOPYRAN-7-ONE, 9-(2,3-DIHYDROXY-3-METHYLBUTOXY)-4-METHOXY-,; 9-[(2R)-2,3-dihydroxy-3-methyl-butoxy]-4-methoxy-furo[3,2-g]chromen-7-one; ZINC13380829; 482-25-7; AC1NST7W; Byankagelicine; (+)-Byakangelicin; byakangelicin; 9-(2,3-dihydroxy-2-methylbutoxy)-4-methoxy-7H-furo[3,2-g][l]benzopyran-7-one; byak-angelicin | C17H18O7 | 334.3 g/mol | CC(C)(C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O)O |
| TCMBANKIN059085 | oxypeucedanin hydrate | NCGC00169070-01; 7H-Furo[3,2-g][1]benzopyran-7-one, 4-(2,3-dihydroxy-3-methylbutoxy)-; HMS2267N05; NCGC00169070-02!4-(2,3-dihydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one; 7H-Furo[3,2-g][1]benzopyran-7-one,4-(2,3-dihydroxy-3-methylbutoxy)-; MCULE-8387217181; BAS 00704766; 24724-52-5; 4-(2,3-Dihydroxy-3-methylbutoxy)-7H-furo[3,2-g]chromen-7-one; AC1LA8IU; oxype-ucedanin hydrate; MEGxp0_000084; 4-(2,3-Dihydroxy-3-methylbutoxy)-7H-furo[3,2-g]chromen-7-one #; 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[(2R)-2,3-dihydroxy-3-methylbutoxy]-; BRD-A22947368-001-01-7; oxypeucedanin hydrate ; PEWFWDOPJISUOK-UHFFFAOYSA-N; CTK0J4642; Oprea1_667233; 4-(2,3-Dihydroxy-3-methylbutoxy)furo(3,2-g)chromen-7-one; MolPort-000-761-123; Oprea1_033750; MLS000877013; AC1Q6AYA; AKOS003601375; 4-(2,3-Dihydroxy-3-methyl-butoxy)-furo[3,2-g]chromen-7-one; SCHEMBL15944413; Hydrated oxypeucedanin; NP-000248; 4-(2,3-dihydroxy-3-methyl-butoxy)furo[3,2-g]chromen-7-one; SMR000440613; ACon1_000447; CHEMBL1438253; HMS3347D15; 4-(2,3-dihydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one; DTXSID10333114; (+/-)-Prangol;4-[(2S)-2,3-dihydroxy-3-methylbutoxy]-7-furo[3,2-g]chromenone; 4-[(2S)-2,3-dihydroxy-3-methyl-butoxy]furo[3,2-g]chromen-7-one; ZINC00477939;(s)-(?)-oxypeucedaninhydrate;aviprin;(+)-oxypeucedanin hydrate | C16H16O6 | 304.29 g/mol | CC(C)(C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)O |
| TCMBANKIN059099 | Marmesine;nodakenetin | (2R)-2-(1-hydroxy-1-methyl-ethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one; 7H-FURO(3,2-g)(1)BENZOPYRAN-7-ONE, 2,3-DIHYDRO-2-(1-HYDROXY-1-METHYLETHYL)-, (S); C09278; (2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one; STOCK1N-61085; AIDS071123; ZINC00051923; 495-32-9; marmesine; NSC 340840; AIDS-071123; 7H-Furo(3,2-g)(1)benzopyran-7-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (S)-(+)-; CCRIS 5728; 1/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H; (2R)-2-(1-hydroxy-1-methylethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one; 7H-furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-; (S)-Marmesin; 7H-Furo(3,2-g)(1)benzopyran-7-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (R)-; (-)-Marmesin; Nodakenitin; 2-(1-hydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one; 7H-Furo[3,2g][1]-benzopyran-7-one, (-2,3-dihydro-2-(1-hydroxy-1-hydroxymethylethyl)-, (R); (R)-2-(1-Hydroxy-1-methylethyl)-2,3-dihydro-7H-furo(3,2-g)(1)benzopyran-7-one; Nodakenetin;ST4038313; FWYSBEAFFPBAQU-UHFFFAOYSA-N; ( inverted exclamation markA)-Marmesin; MCULE-3188434807; BAS 00015462; 2-(1-hydroxy-1-methyl-ethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one; 2-(1-Hydroxy-1-methyl-ethyl)-2,3-dihydro-furo[3,2-g]chromen-7-one; 2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one; 2-(1-Hydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one; Marmesin; 2-(1-Hydroxy-1-methylethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one; SCHEMBL546574; 2-(2-hydroxypropan-2-yl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one; Oprea1_172287; AC1LCPS5; AKOS022062475; HMS1672K17; MolPort-001-913-428; 2'-(1''-Hydroxy-1''-methylethyl)-psoralen; STK396315; A1784/0075601; 2-(1-Hydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one #; 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-7h-furo[3,2-g][1]benzopyran-7-one; 13710-70-8; InChI=1/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H; (S)-Marmesin; CHEBI:49080; Oprea1_468691; 7-(2-hydroxypropan-2-yl)-2H,6H,7H-furo[3,2-g]chromen-2-one; Q-100147; ST097606; AKOS000546749; 2-(1-hydroxy-isopropyl)-2,3-dihydrofurano[3,2-g]chromen-7-one | C14H14O4 | 246.26 | CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O |
| TCMBANKIN059100 | Ammijin | 27497-13-8; Ammajin; marmesinin, 7H-Furo(3,2-g)(1)benzopyran-7-one, A-d-glucopyranoside; (S)-2-(1-(beta-D-Glucopyranosyloxy)-1-methylethyl)-2,3-dihydro-7H-furo(3,2-g)(1)benzopyran-7-one; MolPort-039-338-572; 2-[(2s)-7-oxo-2,3-dihydro-7h-furo[3,2-g]chromen-2-yl]propan-2-yl ; Ammajin; ZINC31597169; AC1Q6A35; CHEBI:132401; (2S)-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one; (-)-Marmesinin; 1C1VEU88IF; 495-30-7; Marmesinin; (-)-marmesin beta-D-glucoside; Ammijin; 7h-furo benzopyran-7-one,2-(1-2,3-dihydro-, -; 27497-13-8; UNII-1C1VEU88IF; AC1L50FF; 2-[(2S)-7-oxo-2,3-dihydro-7H-furo[3,2-9][1]benzopyran-2-yl]propan-2-yl beta-D-glucopyranoside; 7H-Furo(3,2-g)(1)benzopyran-7-one, 2-(1-(beta-D-glucopyranosyloxy)-1-methylethyl)-2,3-dihydro-, (S)-, 2-(1-(beta-D-glucopyranosyloxy)-1-methylethyl)-2,3-dihydro-, (S)-; (2S)-2-[1-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-ethyl]-2,3-dihydrofuro[3,2-g]chromen-7-one; (2S)-2-[1-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-ethyl]-2,3-dihydrofuro[3,2-g]chromen-7-one; (S)-2-(1-(beta-D-Glucopyranosyloxy)-1-methylethyl)-2,3-dihydro-7H-furo(3,2-g)(1)benzopyran-7-one; 495-30-7; (-)-Marmesinin; (2S)-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one; (2S)-2-[1-methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]ethyl]-2,3-dihydrofuro[3,2-g]chromen-7-one | C20H24O9 | 408.4 | CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC4C(C(C(C(O4)CO)O)O)O |
| TCMBANKIN059253 | Hexahydro-farnesyl acetone | hexahydro-farnesylacetone; 6,10,14-trimethyl-2-pentadecanone; 6, 10, 14-trimethyl-2-pentadecanone; (6S,10S)-6,10,14-trimethylpentadecan-2-one; 2-pentadecanone,6,10,14-trimethyl-; phytone; 6,10,14-TRIMETHYL-2-PENTADECANONE; hexahydro-farnesyl-acetone; 6,10,14-trimethyl-pentadecan-2-one; C-25231; MFCD00065420; ST049442; 13955-74-3; 2-pentadecanone, 6,10,14-trimethyl; 502-69-2; MCULE-5164481361; AC1Q5H6P; PHYTONE; 6,10,14-Trimethylpentadeca-2-one; 6,10,14-trimethyl pentadecan-2-one; STK761211; OR13502; AN-21434; CTK4J2356; MolPort-001-758-493; (R,R)-Phytone; ZX-AT021772; 2-Pentadecanone,6,10,14-trimethyl-; Hexahydrofarnesyl acetone; 6,10,14-trimethyl-2-pentadecanon; Fitone; AKOS016347358; Hexahydrofarnezylacetone; SBB012620; ZERO/001268; CC-29299; Hexahydrofarnesylacetone; 36116P; 2-Pentadecanone, 6,10,14-trimethyl-; 6,10,14-trimethyl-pentadecane-2-one; W-109084; SCHEMBL716506; Phytol ketone; AKOS001727037; SR-01000526355-1; FT-0632240; SR-01000526355; KB-85744; 6,10,14-Trimethylpentadecan-2-one; hexahydrofarnesylacetone; WHWDWIHXSPCOKZ-UHFFFAOYSA-N; EINECS 207-950-7; AC1L1V4Z; hexahydrofarnesylacetone; 6,10,14-trimethyl-2-pentadecanone; 6,10,14-trimethyl-2-Pentadeeanone; hexahydrofarnesyl acetone; 6,10,14-Trimethylpentadecan-2-one; 2-Pentadecanone, 6,10,14-trimethy-; 6, 10, 14- trimethyl- 2- pentadecanone; (6R,10R)-6,10,14-trimethylpentadecan-2-one; ZINC02169908; 6,10,14-trimethylpentadecan-2-one; 2-pentadecanone,6,10,14-trimethyl; Phytone; hexahydrofarnesyl acetone; perhydrofarnesyl acetone; FITONE | C18H36O | 268.5 g/mol | CC(C)CCCC(C)CCCC(C)CCCC(=O)C |
| TCMBANKIN059259 | 13-methyl tetradecanoicacid | 13-methyl tetradecanoic acid;13-Methylmyristate | C15H30O2 | 242.4 g/mol | CC(C)CCCCCCCCCCCC(=O)O |
| TCMBANKIN059475 | bya-kangelicol | C17H16O6 | 316.3 g/mol | CC1(C(O1)COC2=C3C(=C(C4=C2OC(=O)C=C4)OC)C=CO3)C | |
| TCMBANKIN059478 | oxypeucedanin | C16H16O5 | 286.28 | CC1(C(O1)COC2=CCOC3=CC4=C(CC(=O)O4)C=C23)C | |
| TCMBANKIN059519 | z-1s,5R-β-pinen-10-yl-β-vicianoside | C21H34O10 | 446.49 | CC1(C2CCC(=C(C3C(C(C(C(O3)OC)O)O)O)OC4C(C(C(CO4)O)O)O)C1C2)C | |
| TCMBANKIN059521 | B- pinene;pinene;T-pinene;(-)-nopinene;beta-pinene;bicyclo[3.1.1]heptane,6,6-dimethyl-2-methylene-,(1s);1-β-pinene;()-beta-Pinene;(-)- β- pinene;laevo- β- Pinene | C10H16 | 136.23 g/mol | CC1(C2CCC(=C)C1C2)C | |
| TCMBANKIN059522 | (1R)-()-Nopinone | C9H14O | 138.21 g/mol | CC1(C2CCC(=O)C1C2)C | |
| TCMBANKIN059527 | (+)-Camphene | C10H16 | 136.23 g/mol | CC1(C2CCC(C2)C1=C)C | |
| TCMBANKIN059532 | (1R)-1, 7, 7-trimethyl-bicyclo[2.2.1]heptan-2-one | C10H16O | 152.23 g/mol | CC1(C2CCC1(C(=O)C2)C)C | |
| TCMBANKIN059724 | Phenol, 2-methyl-5-(1-methylethyl) | C10H14O | 150.22 g/mol | CC1=C(C=C(C=C1)C(C)C)O | |
| TCMBANKIN059905 | p-isopropyltoluene;4-Isopropyltoluene;cymene;1-methyl-4-(1-methylethyl)benzene;Cymol;Para cymene;4-Cymol;p-cymene;Dolcymene | C10H14 | 134.22 g/mol | CC1=CC=C(C=C1)C(C)C | |
| TCMBANKIN059974 | alpha-phellandrene | C10H16 | 136.23 | CC1=CCC(C=C1)C(C)C | |
| TCMBANKIN059976 | humulene | C15H24 | 204.35 g/mol | CC1=CCC(C=CCC(=CCC1)C)(C)C | |
| TCMBANKIN059980 | 4-methyl-1-isopropyl-3-cyclohexen-1-ol | C10H18O | 154.25 g/mol | CC1=CCC(CC1)(C(C)C)O | |
| TCMBANKIN060069 | paeoniflorgenone;Paeoniflorigenone | C17H18O6 | 318.32 | CC12CC(=O)C3CC1(OC(C3COC(=O)C4=CC=CC=C4)O2)O | |
| TCMBANKIN060070 | albiflorin R1 | C23H28O11 | 480.51 | CC12CC(C3CC1(C3(C(=O)O2)COC(=O)C4=CC=CC=C4)OC5C(C(C(C(O5)CO)O)O)O)O | |
| TCMBANKIN060072 | oxypaeoniflorin | C23H28O12 | 496.46 | CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=C(C=C5)O)OC6C(C(C(C(O6)CO)O)O)O)O | |
| TCMBANKIN060074 | galloylpaeoniflorine | C30H32O15 | 632.57 | CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=CC=C5)OC6C(C(C(C(O6)COC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)O)O | |
| TCMBANKIN060607 | methylcyclohexane | C7H14 | 98.19 g/mol | CC1CCCCC1 | |
| TCMBANKIN060609 | Methyl- cyclodecane | C11H22 | 154.29 g/mol | CC1CCCCCCCCC1 | |
| TCMBANKIN060693 | Sitogluside | C35H60O6 | 576.85g/mol | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C | |
| TCMBANKIN060745 | de-o-methyltenuicausine | C40H44N4O3 | CCC12CC(N3C4=CC=CC=C4C5=C3C1N(CC5)CC=C2)C6=C(C=C7C(=C6)C89CCN1C8C(CC(=C9N7)C(=O)OC)(C=CC1)CC)O | ||
| TCMBANKIN060825 | 5-heptadec-12-enylresorcinol | C23H38O2 | 346.5 g/mol | CCCCC=CCCCCCCCCCCCC1=CC(=CC(=C1)O)O | |
| TCMBANKIN060880 | Linoleic acid methyl ester | C19H34O2 | 294.5 g/mol | CCCCCC=CCC=CCCCCCCCC(=O)OC | |
| TCMBANKIN060942 | nonane | C9H20 | 128.26 | CCCCCCCCC | |
| TCMBANKIN060971 | Satol | C18H36O | 268.48 g/mol | CCCCCCCCC=CCCCCCCCCO | |
| TCMBANKIN060990 | 1-undecene | C11H22 | 154.29 | CCCCCCCCCC=C | |
| TCMBANKIN060993 | cis-4-tetradecenoic acid | C14H26O2 | 226.35 g/mol | CCCCCCCCCC=CCCC(=O)O | |
| TCMBANKIN061008 | lauric acid,ethyl ester | C14H28O2 | 228.37 g/mol | CCCCCCCCCCCC(=O)OCC | |
| TCMBANKIN061014 | n-dodecanal | C12H24O | 184.32 g/mol | CCCCCCCCCCCC=O | |
| TCMBANKIN061016 | tridecane | C13H28 | 184.36 g/mol | CCCCCCCCCCCCC | |
| TCMBANKIN061029 | myristic acid | C14H28O2 | 228.37 | CCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061030 | Methyl myristate | C15H30O2 | 242.4 g/mol | CCCCCCCCCCCCCC(=O)OC | |
| TCMBANKIN061033 | 3-o-tetradecanoyl-1-cyano-2-methyl-1,2-propene | C19H33NO2 | CCCCCCCCCCCCCC(=O)OCC(=CC#N)C | ||
| TCMBANKIN061037 | 1-pentadecene | C15H30 | 210.4 g/mol | CCCCCCCCCCCCCC=C | |
| TCMBANKIN061045 | PENTADECYLIC ACID | C15H30O2 | 242.4 g/mol | CCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061071 | Ethylpalmitate | C18H36O2 | 284.5 g/mol | CCCCCCCCCCCCCCCC(=O)OCC | |
| TCMBANKIN061085 | n-heptadecane;heptadecane;Heptadekan | C17H36 | 240.5 g/mol | CCCCCCCCCCCCCCCCC | |
| 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 | |
| TCMBANKIN061102 | LFA | C20H42 | 282.55 g/mol | CCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061111 | heneicosane | C21H44 | 296.57 | CCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061137 | Octacosane | C28H58 | 394.76 | CCCCCCCCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061142 | n-Dotriacontane | C32H66 | 450.9 g/mol | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061164 | octadecanol | C18H38O | 270.5 g/mol | CCCCCCCCCCCCCCCCCCO | |
| TCMBANKIN061170 | heptadecanol | C17H36O | 256.47 | CCCCCCCCCCCCCCCCCO | |
| TCMBANKIN061174 | Tetradecanol | C14H30O | 214.39 g/mol | CCCCCCCCCCCCCCO | |
| TCMBANKIN061177 | dodecanol | C12H26O | 186.33 g/mol | CCCCCCCCCCCCO | |
| TCMBANKIN061181 | Undecyl acetate | C13H26O2 | 214.34 | CCCCCCCCCCCOC(=O)C | |
| TCMBANKIN061187 | 1-octanol | C8H18O | 130.23 g/mol | CCCCCCCCO | |
| TCMBANKIN061207 | Di-n-butyl phthalate | C16H22O4 | 278.34 g/mol | CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC | |
| TCMBANKIN061245 | Acetic ether | C4H8O2 or CH3COOC2H5 | 88.11 g/mol | CCOC(=O)C | |
| TCMBANKIN061254 | ethyl gallate;gallic acid ethyl ester;Progallin A | C9H10O5 | 198.17 g/mol | CCOC(=O)C1=CC(=C(C(=C1)O)O)O | |
| TCMBANKIN061401 | Methylgallate | BRN 2113180; methyl gallate ; Gallic acid methyl ester; Benzoic acid, 3,4,5-trihydroxy-, methyl ester; ZINC00021789; InChI=1/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H; 3,4,5-trihydroxybenzoic acid methyl ester; NSC363001; NSC 363001; methyl gallate; CCRIS 5567; EINECS 202-741-7; AIDS-026332; METHYL GALLATE; 99-24-1; meGAL; MLS000574912; AI3-00861; 4-10-00-01998 (Beilstein Handbook Reference); 274194_ALDRICH; AIDS026332; SMR000156263; Gallic acid, methyl ester; 48690_FLUKA; Methyl 3,4,5-trihydroxybenzoate; gallincin | C8H8O5 | 184.15 | COC(=O)C1=CC(=C(C(=C1)O)O)O |
| TCMBANKIN061528 | scopoletin | NINDS_000720; 7-hydroxy-6-methoxy-coumarin; NCGC00016349-05; 6-methoxy-7-hydroxycoumarin; 6-methoxy-7-oxidanyl-chromen-2-one; CHEBI:17488; SPBio_002884; HMS1571A05; RODXRVNMMDRFIK-UHFFFAOYSA-N; NCGC00016349-08; TR-029034; 5-18-03-00203 (Beilstein Handbook Reference); Acid, Gelseminic; 6-Methylesculetin; UNII-KLF1HS0SXJ; 7-hydroxy 6-methoxy coumarine; Scopoletin, >=99%; AB00443525; beta -methylesculetin; CS-5791; BRN 0156296; NCGC00094973-02; SR-01000841273-4; HMS2268G04; SCHEMBL147702; scopoletin ; Prestwick3_000962; CHEMBL71851; Escopoletin; Spectrum2_001207; HMS2098A05; NCGC00016349-07; NCGC00094973-03; Murrayetin; 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; Bio-0208; NCGC00016349-02; Prestwick2_000962; ZB002243; BG01509594; NCGC00016349-03; BPBio1_001061; Scopoletin, analytical standard; AX8035441; 0B4B9FAA-686D-4977-AA08-65F8E4F1977C; BRD-K96163925-001-06-5; ZX-AN021883; FCH1115349; AC1NQX27; 7-hydroxy-6-methoxy-chromen-2-one; KBio3_002444; DTXSID0075368; 7-Hydroxy-5-methoxycoumarin; SC-90283; ST24045669; b-Methylaesculetin; KBioGR_001348; 7-Hydroxy-6-methoxy-2H-chromen-2-one #; Gelseminic acid; ZX-AFC000681; S0367; MLS002154074; 4CN-0905; 6-O-Methylesculetin; HMS502D22; KLF1HS0SXJ; MCULE-6077230919; MLS002472878; IDI1_000720; SPECTRUM1502242; Aesculetin 6-methyl ether; C-30831; MFCD00006872; Scopoletol; Buxuletin; AB0019688; CC-34387; Chrysotropic Acid; RTR-029034; ACon1_000143; CCRIS 3592; 6-Methoxyumbelliferone; LS-55217; NSC-405647; NSC 405647; 6-Methoxy-7-hydroxycoumarin; Esculetin-6-methyl ether; BDBM50156693; ZX-AT021192; AK111291; Scopoletin, United States Pharmacopeia (USP) Reference Standard; 7-Hydroxy-6-methoxy-2H-chromen-2-one; I14-14171; Prestwick1_000962; PubChem15777; MolPort-000-707-493; DivK1c_000720; A844290; AN-42608; NCGC00016349-04; ST056287; ZINC57733; BSPBio_002944; Chrysatropic acid; NCI60_003834; CAS-92-61-5; Acid, Chrysotropic; NSC405647; SR-01000841273; Prestwick0_000962; BSPBio_000963; KBio1_000720; FT-0631451; beta-Methylesculetin; Spectrum4_001054; SR-01000841273-3; AJ-09778; 7-Hydroxy-6-methoxycoumarin; W-3522; MEGxp0_001192; HY-N0342; NCGC00016349-06; Scopoletine; 7-hydroxy-6-methoxy-1-benzopyran-2-one; 006S872; OR22352; S-2000; NCGC00094973-01; EINECS 202-171-9; TNP00096; KS-00000YGS; Spectrum5_000654; Spectrum3_001532; TD8126; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy- (9CI); SPBio_000994; AKOS000277133; COUMARIN, 7-HYDROXY-6-METHOXY-; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-; SMR000112541; BIDD:PXR0125; CCG-39140; Esculetin 6-methyl ether; D05QOR; 92-61-5; ALBB-023369; 7-hydroxy-6-methoxychromen-2-one; C01752; BIS1402; HMS1921N16; KB-249948; .beta.-Methylesculetin; NCGC00016349-01; Baogongteng B; 7-hydroxy-6-methoxy-chromen-2-one; KBio3_002444; NINDS_000720; 7-Hydroxy-5-methoxycoumarin; 7-hydroxy-6-methoxy-coumarin; Scopoletine; S2500_SIGMA; 7-hydroxy-6-methoxy-2H-chromen-2-one; CHEBI:17488; KBioGR_001348; SPBio_002884; Prestwick1_000962; NCGC00094973-01; 5-18-03-00203 (Beilstein Handbook Reference); EINECS 202-171-9; scopoletol; TNP00096; AIDS-014975; Gelseminic acid; DivK1c_000720; 6-O-Methylesculetin; Spectrum5_000654; Spectrum3_001532; 6-Methylesculetin; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy- (9CI); MEGxp0_001192; SPBio_000994; Scopoletin; 84792_FLUKA; IDI1_000720; COUMARIN, 7-HYDROXY-6-METHOXY-; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-; ST056287; NCGC00094973-02; BRN 0156296; SPECTRUM1502242; Esculetin 6-methyl ether; BSPBio_002944; Chrysatropic acid; NCI60_003834; CAS-92-61-5; Prestwick3_000962; 7-hydroxy-6-methoxy-2-chromenone; Escopoletin; Spectrum2_001207; NCGC00094973-03; Murrayetin; 92-61-5; NSC405647; BSPBio_000963; NCGC00016349-02; KBio1_000720; 7-hydroxy-6-methoxychromen-2-one; Prestwick0_000962; 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; C01752; ZINC00057733; AIDS014975; Prestwick2_000962; Spectrum4_001054; beta-Methylesculetin; ACon1_000143; BPBio1_001061; CCRIS 3592; 6-Methoxyumbelliferone; 7-Hydroxy-6-methoxycoumarin; .beta.-Methylesculetin; NCGC00016349-01; NSC 405647; 6-Methoxy-7-hydroxycoumarin; Esculetin-6-methyl ether; 6-methoxy-7-hydroxycoumarin; 7- hydroxy- 6-methoxy- coumarin; 6-methoxy-7-hydroxy coumarin; Scopoletol | C10H8O4 | 192.17 g/mol | COC1=C(C=C2C(=C1)C=CC(=O)O2)O |
| TCMBANKIN061530 | scopolin | scopolin ; Scopolin; 6-METHOXY-7-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3,4-DIHYDRO-1-BENZOPYRAN-2-ONE;6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one; 7-(beta-D-glucopyranosoyloxy)-6-methoxy-2H-1-benzopyran-2-one; 6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-2-one; CHEBI:16065; 6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-coumarin; ZINC04082214; STOCK1N-54345; 6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one; 6-methoxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-chromenone;6-methoxy-2-oxo-2H-chromen-7-yl beta-D-glucopyranoside | C16H18O9 | 354.31 g/mol | COC1=C(C=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O |
| TCMBANKIN061819 | monomethyl-cis-hinokiresinol | SCHEMBL7864584; 4-[(Z)-1-Vinyl-3-(4-methoxyphenyl)-2-propenyl]phenol; 4-[(1Z)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]phenol; AC1NSYIV | C18H18O2 | 266.3 g/mol | COC1=CC=C(C=C1)C=CC(C=C)C2=CC=C(C=C2)O |
| TCMBANKIN061906 | 1-o-galloyl-glucose | C13H16O10 | 332.26 g/mol | COC1C(C(C(C(O1)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O |
植物对应的疾病
| 疾病ID | 病名 | 疾病类型 | MeSH | 参考文献 |
|---|
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 |
|---|
滇ICP备16009434号-1 |
Dai SX Lab