Plant Summary
Plant Information
TCMBank_ID: | TCMBANKHE008343 |
ID: | TCMBANKHE008343 |
植物拉丁名: |
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功能与主治: | To remove heat, to promote the production of body fluid, and to facilitate the drainage of pus and the subsidence of swelling./Febrile diseases thirst, lung heat dry cough, diabetes mellitus due to internal heat, toxin swelling of sores, induce abortion. |
药用植物名: | 天花粉 |
药用部位: | root |
药味: | Bitter; slightly sweet; cold |
经络: | Lung; stomach |
临床特征: | 1. Interrupting pregnancy. 2. Its active component, trichosanthin, is effective on placental trophocytic tumor.3. Bacteriostatic. |
治疗类型: | 清热泻火药 |
TCM_ID_id: | 1501 |
SymMap_id: | 392 |
TCMSP_id: | 1052 |
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 |
|---|
| TCMBANKIN001730 | 4-methyl-di-tert-butylphenol | ||||
| TCMBANKIN001863 | gamma-aminobutyric acid | NCGC00015043-01; gamma Aminobutyric acid; GABA hydrochloride; Piperidinic acid; Spectrum3_001385; NINDS_000616; NSC 27418; 4-Aminobutyric acid hydrochloride; LMFA01100039; gamma-Aminobutanoic acid; gamma-Aminobutyric acid; QPGLUEKHBNOAHG-UHFFFAOYSA-N; NCGC00024546-03; 28805-76-7; Aminalon; Gamarex; Tocris-0344; D00058; Oprea1_584567; DF 468; 3131-86-0; Butyric acid, 4-amino- (7CI,8CI); Immu-G; EU-0100005; NSC32044; 5959-35-3; 4-aminobutyrate hydrochloride; MCULE-3615304273; Chemical Name: .gamma.-Aminobutanoic acid; InChI=1/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7; NCGC00024546-04; SPECTRUM1500678; BUTANOIC ACID,4-AMINO 4-AMINO,BUTYRIC ACID; 0S3LEB8Q58; gamma-Aminobutyric acid-carboxy-14C; Gamastan; BSPBio_002970; PDSP1_001275; Gammalon; Spectrum2_001208; gamma-Aminobuttersaeure; 56-12-2; a-Aminobutyric acid; Gamulin; nchembio.78-comp12; Gaballon; AC1L4OHW; gamma-Aminobutyric acid hydrochloride; PDSP2_001259; SMR000058285; KBio1_000616; 4-NH2-but; Butanoic acid,4-amino-, hydrochloride (1:1); Acide amino-4- butyrique [French]; 4-aminobutyrate; MLS000028505; EINECS 227-724-1; DTXSID50208256; 4-aminobutyric acid; NCGC00024546-01; KBio2_005565; ST5330631; Butanoic acid, amino-; AK498572; CCG-213774; 4-Aminobutyric acid HCl; Reanal; BG00901312; EPA Pesticide Chemical Code 030802; Gamma-Aminobutyric acid (JAN); UNII-0S3LEB8Q58; gamma-Aminobuttersaeure [German]; NSC27418; AC1Q3E7S; to_000021; Spectrum5_001425; Lopac-A-2129; KBioSS_000429; .gamma.-Aminobutanoic acid; A2129_SIGMA; g-Aminobutyric acid; 56-12-2 (Parent); KBio3_002190; SPBio_000996; Gammalon (TN); 4-NH3-but; NCGC00024546-06; NSC51295; CTK5B0181; Gammalone; Piperidic acid; WLN: Z3VQ; SGCUT00121; IDI1_000616; GABA; EINECS 200-258-6; CCRIS 3721; gamma-aminobutyrate; Spectrum_000049; gamma-Aminobutryic acid; KBio2_000429; KBio2_002997; 70582-09-1; omega-aminobutyric acid; Spectrum4_000809; Aminobutanoic acid; 4-aminobutanoic acid,hydrochloride; butanoic acid, 4-amino-; gamma-amino-n-butyric acid; Mielomade; 4-AMINO-BUTYRATE; GAMMA(AMINO)-BUTYRIC ACID HYDROCHLORIDE; Biomol-NT_000230; 4-aminobutanoic acid hydrochloride(1:1); 4-aminobutanoic acid hydrochloride; 4-aminobutanoate; A5835_SIGMA; Lopac0_000005; GAMMA-AMINO-BUTANOIC ACID; CHEBI:16865; 4-amino-butanoic acid; 4-amino-n-butyric acid; Gammar; C00334; Mielogen; Gamma-aminobutyric acid [JAN]; Gammagee; GAMMA(AMINO)-BUTYRIC ACID; NSC45460; AI3-26812; 3-Carboxypropylamine; A7463_SIGMA; Butyric acid, 4-amino-; .gamma.-Aminobutyric acid; SCHEMBL115987; DivK1c_000616; Gammasol; AKOS024400865; Aminobutyric acid; 4-Aminobutanoic acid; KBioGR_001297; Butanoic acid, 4-amino- (9CI) | C4H10ClNO2 | 139.58 g/mol | C(CC(=O)O)CN.Cl |
| TCMBANKIN002552 | delta7-Stigmastenol-3-O-beta-D-glucoside | delta7-stigmastenol-3-o-beta-d-glucoside | 576.95 | ||
| TCMBANKIN007778 | 3-methylphenanthrene | VZ27112; M0523; NSC-408897; CJ-25755; NSC 408897; MCULE-8987827528; EINECS 212-623-7; CTK3E9463; BG01203851; DB-056705; ACMC-209prs; AC1L21DC; TC-126415; 3-methyl phenanthrene; UNII-631K6Z695J; 3-METHYLPHENANTHRENE; GKYWZUBZZBHZKU-UHFFFAOYSA-N; ANW-37670; 631K6Z695J; 3-MethyIphenanthrene; CC-15640; ZINC1600965; KS-000017KZ; DTXSID7052731; AKOS015905971; I14-23167; FT-0633015; C-08454; Phenanthrene, 3-methyl- (8CI)(9CI); Phenanthrene, 3-methyl-; 832-71-3; MFCD00216221; NSC408897; 3-methyl-phenanthrene | C15H12 | 192.26 | CC1=CC2=C(C=C1)C=CC3=CC=CC=C32 |
| TCMBANKIN008791 | Elatericin A | C08796; (2S,8S,9R,10R,13R,14S,16R,17R)-17-[(1R)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hex-3-enyl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione; (2S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,1R)-1,5-dihydroxy-1,5-dimethyl-2-oxohex-3-enyl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione; (2S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,1R)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hex-3-enyl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione; 3877-86-9; (2S,8S,9R,10R,13R,14S,16R,17R)-17-[(2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione; NCI60_002636; NSC521776; Cucurbitacin D; NSC 521776; NSC308606; LMST01010106; (2S,8S,9R,10R,13R,14S,16R,17R)-17-[(1R)-1,5-dihydroxy-1,5-dimethyl-2-oxohex-3-enyl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione; (2S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxo-hept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione; 19-Norlanosta-5,23-diene-3,11,22-trione, 2,16,20,25-tetrahydroxy-9-methyl-, (2.beta.,9.beta.,10.alpha.,16.alpha.,23E)-; NSC 308606; Elatericine A; Cucurbitacine (D); (2S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,1R)-1,5-dihydroxy-2-keto-1,5-dimethyl-hex-3-enyl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-quinone; 19-Nor-9-beta,10-alpha-lanosta-5,23-diene-3,11,22-trione, 9-methyl-2-beta,16-alpha,20,25-tetrahydroxy-; (2S,8S,9R,10R,13R,14S,16R,17R)-17-[(2R)-2,6-dihydroxy-6-methyl-3-oxo-hept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione; (2S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione; (2S,8S,9R,10R,13R,14S,16R,17R)-17-[(1R)-1,5-dihydroxy-2-keto-1,5-dimethyl-hex-3-enyl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-quinone; 19-nor-9.beta.,10.alpha.-Lanosta-5,23-diene-3,11,22-trione, 9-methyl-2.beta.,16.alpha.,20,25-tetrahydroxy-; 19-Norlanosta-5,23-diene-3,11,22-trione, 2,16,20,25-tetrahydroxy-9-methyl-, (2beta,9beta,10alpha,16alpha,23E)- (9CI) | C30H44O7 | 516.67 | CC1(C2=CCC3C4(CC(C(C4(CC(=O)C3(C2CC(C1=O)O)C)C)C(C)(C(=O)C=CC(C)(C)O)O)O)C)C |
| TCMBANKIN010046 | 1,5-dimethylnaphthalene | Naphthalene, 1,5-dimethyl-; NSC 59388; STL280252; EINECS 209-338-5; 1,5-DIMETHYLNAPHTHALENE; ZINC1689598; SDDBCEWUYXVGCQ-UHFFFAOYSA-N; CHEBI:48608; NSC-59388; MCULE-5875168245; 571-61-9; 1,5-dimethyl-naphthalene; DTXSID0060351; ACMC-209lwa; I14-46900; 60CM3233U9; CC-03435; AC1L1X2P; UNII-60CM3233U9; InChI=1/C12H12/c1-9-5-3-8-12-10(2)6-4-7-11(9)12/h3-8H,1-2H; AKOS005208625; D2764; CHEMBL435106; D0748; Ambap571-61-9; 1,5-DMN; Naphthalene,5-dimethyl-; VZ20741; KB-10655; FCH1116656; Naphthalene, 1,5-dimethyl- (8CI)(9CI); ST45022252; 1,5-Dimethyl naphthalene; FT-0606972; CJ-28014; 1,5-dimethylnaph-thalene; NSC59388; BDBM50159247; MolPort-003-928-587; MFCD00004038; ANW-32648; AK386345; 1,5-Dimethylnaphthalene, 98%; TC-121393; C-03571 | C12H12 | 156.22 | CC1=C2C=CC=C(C2=CC=C1)C |
| TCMBANKIN011409 | pyrene | 185515_ALDRICH; Coal tar pitch volatiles: pyrene; InChI=1/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10; NSC17534; Pyrene D10; beta-Pyrene; Pyrene-d10; Pyrene D10 100 microg/mL in Acetonitrile; AIDS017524; c0841; 1718-52-1; CCRIS 1256; 48570_SUPELCO; FT-0674169; (2H10)Pyrene; Perdeuteriopyrene; Benzo(def)phenanthrene; P4185_SIGMA; J-010765; PYRENE; HSDB 4023; NSC 17534; ZINC01758808; Pyrene[def]phenanthrene; 571245_ALDRICH; Pyrene-d10, 98 atom % D; 76165-23-6; 131598_ALDRICH; NCGC00090910-01; Pyrene D10 100 microg/mL in Acetone; Benzo[def]phenanthrene; Pyren; 1,2,3,4,5,6,7,8,9,10-decadeuteriopyrene; AI3-23977; Pyren [German]; C14335; 82648_FLUKA; P9712_SIGMA; WLN: L666 B6 2AB PJ; [2H10]Pyrene; Pyrene-d10, analytical standard; 36944_RIEDEL; 40082_SUPELCO; AIDS-017524; ST5214713; CHEBI:39106; Pyrene D10 10 microg/mL in Cyclohexane; P6805_SIGMA; BCR177R_FLUKA; Pyrene-1,2,3,4,5,6,7,8,9,10-d10; Pyrene-4,5,9,10-14C; Pyrene solution; .beta.-Pyrene; NSC66449; P8712_SIGMA; AB-131/40897138; 48649_SUPELCO; EINECS 204-927-3; [10-2H]Pyrene; 129-00-0; NCGC00090910-02; AC1OC5FM; ((2)H??)PYRENE | C16H10 | 202.25 | C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2 |
| TCMBANKIN012264 | (R)-ornithine | InChI=1/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9; EINECS 206-482-0; CHEBI:16176; C00515; NSC-118360; (2R)-2,5-diaminopentanoic acid; (2R)-2,5-diaminovaleric acid; NCGC00097310-02; 410523-47-6; NCIStruc1_000044; NCI118360; NCIStruc2_000122; NCGC00014201 | C5H12N2O2 | 132.16 | C(CC(C(=O)O)N)CN |
| TCMBANKIN016962 | acenaphthylene | 1Z25C36811; AKOS015901063; 36958_RIEDEL; NCGC00163967-02; FT-0600515; CHEBI:33081; NCGC00163967-03; AKOS025243282; FCH1117907; CAS-208-96-8; 48630U_SUPELCO; HXGDTGSAIMULJN-UHFFFAOYSA-N; Cyclopenta[de]naphthalene; MCULE-4571389115; DS-16915; Cyclopenta(de)naphthalene; ANW-24275; NSC 59821; A0005; NCGC00254399-01; DSSTox_CID_3845; Acenaphthalene; Acenaphthylene, 75%; LS-7874; CTK1A1968; Acenaphthylene; A815009; 40075_SUPELCO; NCGC00259374-01; InChI=1/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8; DSSTox_RID_77204; CJ-28033; G00031-Watson-Int; Cycopenta(de)naphthalene; 34493-60-2; Acenaphthylene 10 microg/mL in Cyclohexane; ACN-028453; CC-23640; Acenaphthylene,industrial; Acenaphthylene 10 microg/mL in Acetonitrile; TR-009826; 48566_SUPELCO; AN-16755; MFCD00003806; ST51047425; MolPort-003-925-028; acenaphthylen; AK-76931; A805_ALDRICH; ACENAPHTHYLENE; RTR-009826; Acenaphthylene solution; NSC-59821; I14-1580; ZINC1689804; Acenaphthylene, certified reference material, TraceCERT(R); 208-96-8; Acenaphthylene, radical ion(1-); 416703_ALDRICH; C-03077; X8427; ACM208968; Tox21_201825; CHEMBL2132328; DSSTox_GSID_23845; EINECS 205-917-1; Tox21_300587; AC-26296; Q-200575; FT-0660958; UNII-1Z25C36811; Acenaphthylene, 99%; ST24030065; Acenaphthylene, analytical standard; Acenaphthylene solution, 200 mug/mL in methanol, analytical standard; ACMC-209ffp; AC1L1SGG; ACN-S002726; Acenaphthylene 100 microg/mL in Acetonitrile; KB-250606; TRA0083522; DTXSID3023845; AM20030321; NCGC00163967-01; NSC59821; Acenaphthylene, 98% 100mg; KS-00000FKU; SBB061406; HSDB 2661; SC-18791; AJ-30001 | C12H8 | 152.19 | C1=CC2=C3C(=C1)C=CC3=CC=C2 |
| TCMBANKIN017350 | Schottenol glucoside | 61376-86-1; Schottenol beta-D-glucoside; (2R,3R,4S,5S,6R)-2-[[(3S,5S,9R,10S,13R,14R,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol; (2R,3R,4S,5S,6R)-2-[[(3S,5S,9R,10S,13R,14R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol; (2R,3R,4S,5S,6R)-2-[[(3S,5S,9R,10S,13R,14R,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; beta-D-Glucopyranoside, (3beta,5alpha)-stigmast-7-en-3-yl; (2R,3R,4S,5S,6R)-2-[[(3S,5S,9R,10S,13R,14R,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol; (2R,3R,4S,5S,6R)-2-[[(3S,5S,9R,10S,13R,14R,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol | C35H60O6 | 576.85 | CCC(CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C |
| TCMBANKIN017993 | vitamin c | D01CWN; Cell C; Ronotec 100; P 1110; Suncoat VC 40; D-threo-hex-2-enoic acid gamma-lactone; Citrovit; 2-o-(beta-d-glucopyranosyl)-ascorbic acid_qt; Juvamine; SCHEMBL13468284; Vasc; CHEBI:51384; D-Lyxoascorbic acid; CHEMBL1253320; AK481251; Chewcee; D-xyloascorbic acid; C8DQ5M1Y1E; MLS001066386; AK322241; Ascorbic acid, D-; AC1LD8K5; E 300; Scorbu C; 10504-35-5; Ascorbicacid; l(+)-ascorbic acid; ZINC100006137; L-ascorbate (vitamin C); (5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyfuran-2(5H)-one; (+)-Ascorbic acid; UNII-C8DQ5M1Y1E; Ascorbinsaure; Ceklin; VC 97; (2S)-2-[(1R)-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)furan-3-one; Vicin; L-ascorbate acid; L-ascorbic acid; L-dehydroascorbic acid; ascorbate; D-threo-hex-2-enono-1,4-lactone; Kangbingfeng; D-Ascorbic acid; Viscorin 100M; ZINC100028197; (2S)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-3-furanone; L-Ascorbic acid (8CI,9CI); Proscorbin Redoxon Ribena Ronotec 100; Hex-2-enonic acid gamma-lactone, L-threo; (5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one; Ascorbic acid; DL-Ascorbic acid; AKOS000278050; Cebion, gamma-lactone; F91F7DA3-A3D5-4FB4-A6E7-C497C48D192A; GTPL4651; SMR000471843; Xyloascorbic acid, L-; Rontex 100; Rovimix C; (2S)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one; A828310 | C6H8O6 | 176.12 | C(C(C1C(=C(C(=O)O1)O)O)O)O |
| TCMBANKIN018638 | (2R,3R,4S,5S,6R)-2-[[(3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol | (2R,3R,4S,5S,6R)-2-[[(3S,5S,9R,10S,13R,14R,17R)-17-[(E,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol; (2R,3R,4S,5S,6R)-2-[[(3S,5S,9R,10S,13R,14R,17R)-17-[(E,1R,4S)-4-ethyl-1,5-dimethylhex-2-enyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; (2R,3R,4S,5S,6R)-2-[[(3S,5S,9R,10S,13R,14R,17R)-17-[(E,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; (2R,3R,4S,5S,6R)-2-[[(3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol | C35H58O6 | 574.83 | |
| TCMBANKIN025914 | cedrenol | 1H-3a,7-Methanoazulen-5-ol, octahydro-6-methylene-3,8,8-trimethyl-; 28231-03-0; AC1L3PKE; Octahydro-3,8,8-trimethyl-6-methylene-1H-3a,7-methanoazulen-5-ol; EINECS 248-917-7; DJYWGTBEZVORGE-UHFFFAOYSA-N; Cedr-8(15)-en-9-ol; 13567-41-4; 1405-91-0; LS-90491; 1H-3a,7-Methanoazulen-5-ol, octahydro-3,8,8-trimethyl-6-methylene-; 2,6,6-TRIMETHYL-8-METHYLIDENETRICYCLO[5.3.1.0(1),?]UNDECAN-9-OL; Cedr-8(15)-en-9-ol (8CI); AC1Q79EL; (+)-8(15)-Cedren-9-ol; SCHEMBL3504932; Octahydro-6-methylene-3,8,8-trimethyl-1H-3a,7-methanoazulen-5-ol; Cedrenol | C15H24O | 220.35 | CC1CCC2C13CC(C2(C)C)C(=C)C(C3)O |
| TCMBANKIN026559 | benzenemethanol | Aromatic primary alcohol; 3983-EP2298734A2; D05OIS; Benzyl alcohol, polymer-bound, 70-90 mesh, extent of labeling: 2.0-3.0 mmol loading, 1 % cross-linked; Benzyl alcohol, USP, 98.0-100.5%; NSC 406252-d5; Benzyl alcohol, Vetec(TM) reagent grade, 98%; 3983-EP2308873A1; Alcool benzilico [DCIT]; 3983-EP2311842A2; 3983-EP2292612A2; Benzyl alcohol [USAN:INN:JAN]; 3983-EP2305696A2; 3983-EP2275401A1; J-000153; WVDDGKGOMKODPV-UHFFFAOYSA-N; 3983-EP2277568A2; 3983-EP2308854A1; benzylic alcohol; TR-033774; EINECS 202-859-9; 3983-EP2272841A1; PhCH2OH; Jsp000133; Benzyl alcohol, SAJ first grade, >=98.5%; 3983-EP2298744A2; Benzyl alcohol, polymer-bound, 100-200 mesh, extent of labeling: 1.0-2.0 mmol/g loading, 1 % cross-linked with divinylbenzene; Benzyl alcohol, polymer-bound, 70-90 mesh, extent of labeling: 0.5-1.0 mmol/g loading, 1 % cross-linked with divinylbenzene; Benzoyl alcohol; CTK0H6356; 3983-EP2280010A2; 3983-EP2270011A1; Benzyl alcohol, Pharmaceutical Secondary Standard; Certified Reference Material; Benzyl alcohol, polymer-bound; NSC8044; PENTADEOTEROBENZYL ALCOHOL; Benzylalkohol; 3983-EP2292614A1; Tox21_111172; 3983-EP2308858A1; benzylalcohol; STL163453; Benzyl alcohol, puriss. p.a., ACS reagent, >=99.0% (GC); Pharmakon1600-01502555; Polystyrene cross-linked with divinylbenzene, hydroxymethylated; I01-4406; Benzyl alcohol, analytical standard; DTXSID5020152; AS04466; ZB015017; (Hydroxymethyl)benzene; Benzyl alcohol, anhydrous, 99.8%; 3983-EP2270004A1; 3983-EP2287155A1; Caswell No. 081F; 3983-EP2305808A1; Sunmorl BK 20; EC 202-859-9; Benzal alcohol; 3983-EP2275411A2; RTR-033774; benzene-methanol; 3983-EP2275102A1; 3983-EP2301931A1; 2-PHENYL-D5-ETHANOL; 3983-EP2277569A2; 3983-EP2277570A2; KB-200532; 3983-EP2308846A2; 3983-EP2316831A1; Alcool benzilico; 3983-EP2295406A1; (Hydroxymethyl)polystyrene, 200-500 mesh, extent of labeling: ~1.1 mmol/g loading; 3983-EP2305640A2; CHEMBL720; 3983-EP2308845A2; 3983-EP2280008A2; Benzyl alcohol, United States Pharmacopeia (USP) Reference Standard; TOLUENE,ALPHA-HYDROXY; 3983-EP2295411A1; 3983-EP2292615A1; alcoholum benzylicum; BC222892; phenylmethanol; C6H5CH2OH; Phenyl-Methanol; MFCD00004599; (Hydroxymethyl)polystyrene, 200-400 mesh, extent of labeling: ~1.7 mmol/g loading; A800221; DTXSID40470349; NCGC00091865-01; InChI=1/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H; KSC176G5N; 3983-EP2280001A1; 3983-EP2287160A1; 3983-EP2289888A2; Itch-X; 3983-EP2311817A1; BENZYL ALCOHOL, U.S.P./N.F.; D00077; Benzyl alcohol, puriss., meets analytical specification of Ph.??Eur., BP, NF, 99-100.5% (GC); enzylalcohol; AKOS000119907; 2-(2,3,4,5,6-pentadeuteriophenyl)ethanol; 3983-EP2277867A2; Benzyl alcohol, >=99%, FCC, FG; Bentanol; NSC 8044; 3983-EP2380568A1; BENZYL ALCOHOL, ACS; 3983-EP2295426A1; 3983-EP2316836A1; Benzencarbinol; Phenylcarbinolum; hydroxy(phenyl)methyl; Methanol, phenyl-; Benzyl Alcohole; 3983-EP2311823A1; Benzyl alcohol (natural); Bn-OH; Benzalalcohol; Phenyl Methanol; 3983-EP2275414A1; SBB058558; 3983-EP2270505A1; C03485; 2-Phenyl-d5-ethanol, 98 atom % D, 98% (CP); a-Hydroxytoluene; 3983-EP2372017A1; EPA Pesticide Chemical Code 009502; 3983-EP2311829A1; Alcool benzylique; Benzyl alcohol, ACS reagent, >=99.0%; Alcoolbenzylique; 3983-EP2298783A1; 3983-EP2308875A1; 3983-EP2298768A1; Tox21_300044; 3983-EP2289887A2; 3983-EP2287166A2; 3983-EP2280003A2; 3983-EP2311831A1; Benzyl alcohol, LR, >=99%; 3983-EP2311806A2; I765; DSSTox_RID_75404; Benzenecarbinol; DSSTox_GSID_20152; LS41488; 3983-EP2272813A2; NCGC00254154-01; 2-[(2,3,4,5,6-(2)H?)PHENYL]ETHANOL; 3983-EP2295413A1; 3983-EP2308857A1; Phenylethyl Alcohol-d5; 3983-EP2277879A1; 3983-EP2311837A1; 3983-EP2314585A1; TB 13G; OBZ; 3983-EP2374454A1; BB_SC-7027; FT-0622812; C00556; Ulesfia; 3983-EP2305636A1; 3983-EP2305695A2; 3983-EP2277876A1; AK146334; BDBM16418; 3983-EP2314584A1; FT-0673679; CHEBI:17987; MFCD03792087; ACM35845637; Benzyl alcohol Natural; 3983-EP2305698A2; Benzyl alcohol, p.a., ACS reagent, 99.0%; Phenethyl Alcohol-d5; 3983-EP2295437A1; 3983-EP2298750A1; 4-06-00-02222 (Beilstein Handbook Reference); BIDD:ER0248; (Hydroxymethyl)polystyrene; SCHEMBL147; HMS3264B16; 3983-EP2308870A2; Polystyrene crosslinked with divinylbenzene, hydroxymethylated; AJ-24171; 3983-EP2305697A2; Nat. Benzyl Alcohol; CAS-100-51-6; 3983-EP2298755A1; 2-Phenethanol-d5; 3983-EP2270005A1; 3983-EP2374790A1; Benzyl alcohol, ReagentPlus(R), >=99%; 3983-EP2316834A1; 3983-EP2314575A1; 3983-EP2308833A2; 3983-EP2308812A2; Aromatic alcohol; 3983-EP2298743A1; 3983-EP2305651A1; Phenylmethyl alcohol; UNII-LKG8494WBH; alpha-hydroxytoluene; NCGC00259996-01; 3983-EP2295427A1; FEMA No. 2137; Benzeneethanol-d5; 3983-EP2316829A1; 3983-EP2316470A2; 3983-EP2292227A2; 100-51-6; 1336-27-2; StratoSpheres™ PL-HMS (Hydroxymethylstyrene) resin; MolPort-001-783-216; hydroxymethylbenzene; Benzylicum; 3983-EP2277565A2; NCGC00091865-02; Hydroxytoluene; a-Toluenol; 3983-EP2298775A1; Benzalcohol; Euxyl K 100; BnOH; BRN 0878307; 3983-EP2292596A2; Hydroxymethyl polystyrene; HY-B0892; Benzyl alcohol, polymer-bound, 100-200 mesh, extent of labeling: 0.5-1.0 mmol/g loading, 1 % cross-linked; CCG-213843; 3983-EP2289892A1; 3983-EP2274983A1; DSSTox_CID_152; Benzyl alcohol, natural, >=98%, FG; B2378; PINAPUR™ 9 BA-R; Benzyl alcohol, tested according to Ph.Eur.; 3983-EP2280005A1; SC-47293; 3983-EP2298731A1; benzyl alcohol; 3983-EP2272825A2; Benzyl alcohol (JP15/NF); .alpha.-Toluenol; s4600; 3983-EP2272822A1; 3983-EP2277566A2; 3983-EP2281823A2; Benzyl alcohol, PharmaGrade, USP/NF, Ph Eur, Manufactured under appropriate GMP controls for pharma or biopharmaceutical production.; aplha-Hydroxytoluene; 3983-EP2279750A1; F0001-0019; 3983-EP2284160A1; Benzyl alkohol; NCGC00091865-03; Bentalol; 3983-EP2308867A2; 3983-EP2308861A1; benzenmethanol; 3983-EP2295550A2; Benzyl alcohol, AR, >=99.5%; 3983-EP2295412A1; BBL011938; HSDB 46; 3983-EP2275425A1; 3983-EP2308872A1; Alcool benzylique [INN-French]; 3983-EP2374783A1; CCRIS 2081; AI3-01680; Phenolcarbinol; 3983-EP2289884A1; Benzyl alcohol, SAJ special grade, >=99.0%; LKG8494WBH; 3983-EP2295402A2; ZINC895302; 3983-EP2298772A1; LS-307; Benzyl alcohol (JP17/NF/INN); DB06770; 3983-EP2374792A1; Benzyl alcohol, polymer-bound, 70-90 mesh, extent of labeling: 1.0-1.5 mmol/g loading, 1 % cross-linked; 3983-EP2272516A2; Alcoholum benzylicum [INN-Latin]; phenylcarbinol; 3983-EP2308844A2; phenylmethan-1-ol; 3983-EP2277848A1; Methanol benzene; 3983-EP2308877A1; Benzyl alcohol, certified reference material, TraceCERT(R); 3983-EP2289894A2; (2-Hydroxyethyl)benzene-d5; 2-Phenyl-1-ethanol-d5; SR-01000872610; Benzyl alcohol, 99% 250g; 2-Phenylethanol-d5; AC1L18SY; Benzene Carbinol; 3983-EP2287165A2; StratoSpheres(TM) PL-HMS (Hydroxymethylstyrene) resin, 50-100 mesh, extent of labeling: 2.0 mmol loading, 1 % cross-linked; 66072-40-0; 3983-EP2301936A1; Alcohol bencilico; 3983-EP2311834A1; 3983-EP2284149A1; Benzyl alcohol polymer-bound; MCULE-6011707909; NCI-C06111; Benzyl alcohol on polystyrene, 3.5 mmol/g; 35845-63-7; alpha-Toluenol; RP18893; 3983-EP2311815A1; NSC-760098; 3983-EP2292280A1; ST24048908; Alcohol bencilico [INN-Spanish]; ACMC-1BQPG; 3983-EP2301918A1; 3983-EP2311824A1; 3983-EP2269992A1; 3983-EP2277567A1; BENZYL-ALCOHOL; 3983-EP2316835A1; 3983-EP2272817A1; 3983-EP2292611A1; Benzyl alcohol, European Pharmacopoeia (EP) Reference Standard; 3762963D-6C2A-4BFF-AD94-3180E51BCA68; ST51028320; 3983-EP2305673A1; NSC-8044; 3983-EP2292620A2; Ulesfia (TN); AC1Q7C20; NSC760098; Benzyl Alcohol Reagent ACS Grade; bmse000407; 3983-EP2308839A1; E1519; SR-01000872610-3; Benzyl alcohol [INN:JAN:NF]; NCGC00091865-04; AB01563201_01; 3983-EP2280012A2; Z955123784; 3983-EP2308828A2; 185532-71-2; .alpha.-Hydroxytoluene; WLN: Q1R; 3983-EP2305676A1; 3983-EP2311816A1; 3983-EP2305243A1; 3983-EP2298735A1; Tox21_202447 | C7H8O | 108.14 | CO.C1=CC=CC=C1 |
| TCMBANKIN027702 | Citrusin B | SCHEMBL7641595; 3-[3-Methoxy-4-[(beta-D-glucopyranosyl)oxy]phenyl]-2-[2,6-dimethoxy-4-[(E)-3-hydroxy-1-propenyl]phenoxy]-1,3-propanediol; citrusin B; citrusin b; 105279-10-5 | C27H36O13 | 568.57 | COC1=CC(=CC(=C1OC(CO)C(C2=CC(=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)OC)O)OC)C=CCO |
| TCMBANKIN029436 | 2,4-Dimethylpyrrole | InChI=1/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H; NSC81347; ZINC01574400; 1H-Pyrrole, 2,4-dimethyl-; 390836_ALDRICH; 2,4-Dimethyl-1H-pyrrole; Pyrrole, 2,4-dimethyl-; EINECS 210-912-2; 625-82-1 | C6H9N | 95.14 | CC1=CC(=CN1)C |
| TCMBANKIN031803 | 4-Hydroxy-4-methylcyclohexanone | 4-hydroxy-4-methylcyclohexan-1-one; 4-hydroxy-4-methyl-cyclohexan-1-one; 17429-02-6; 4-HYDROCY-4-METHYLCYCLOHEXANONE; Cyclohexanone, 4-hydroxy-4-methyl-; 4-hydroxy-4-methyl-1-cyclohexanone | C7H12O2 | 128.17 | CC1(CCC(=O)CC1)O |
| TCMBANKIN033702 | citric acid | InChI=1/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12; NCGC00090954-02; NCGC00090954-01; HSDB 911; CIT; Citric acid (8CI); BRN 0782061; NCIStruc2_000099; 27109_RIEDEL; AIDS-017733; 1,2,3-PROPANETRICARBOXYLIC ACID,2-HYDROXY (CITRIC ACID); citr; 27488_FLUKA; FEMA No. 2306; E 330; 27485_FLUKA; 27487_FLUKA; 77-92-9; C2404_SIGMA; 2-Hydroxytricarballylic acid; NCIOpen2_004502; F 0001 (polycarboxylic acid); EPA Pesticide Chemical Code 021801; AI3-06286; 245654-34-6; 1,2,3-Propanetricarboxylic acid, 2-hydroxy-; Citretten; Kyselina citronova; 2-hydroxypropane-1,2,3-tricarboxylic acid; Anhydrous citric acid; Citrate standard for IC; C83155_SIAL; LS-2418; WLN: QV1XQVQ1VQ; 1,2,3-Propanetricarboxylic acid, 2-hydroxy- (9CI); NSC30279; .beta.-Hydroxytricarballylic acid; NSC 626579; FLC; NCI60_022579; LS-3185; 2-hydroxy-1,2,3-propanetricarboxylic acid; Caswell No. 221C; EINECS 201-069-1; 43136-35-2; 251275_SIAL; 38730_FLUKA; C4540_SIGMA; FEMA Number 2306; 4-03-00-01272 (Beilstein Handbook Reference); 3-Carboxy-3-hydroxypentane-1,5-dioic acid; Citric acid anhydrous (JAN); C00158; 12262-73-6; 240621_ALDRICH; AIDS017733; MLS001066346; Kyselina 2-hydroxy-1,2,3-propantrikarbonova [Czech]; 2-Hydroxypropanetricarboxylic acid; CCRIS 3292; KBio3_002740; NSC626579; D00037; SBB008922; Kyselina citronova [Czech]; Aciletten; NSC 30279; Anhydrous citric acid (JP15); 46933_SUPELCO; NCIOpen2_004062; Citric acid solution; CHEBI:30769; Citro; BSPBio_003240; NCIStruc1_000057; Uro-trainer; Citric acid, anhydrous (USP); W230618_ALDRICH; Citric acid [USAN:JAN]; H3cit; Chemfill; Hydrocerol A; Suby G; Oprea1_502996; Citric acid, anhydrous; SMR000471840; Citric acid anhydrous; Spectrum3_001850 | C6H8O7 | 192.12 | C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| TCMBANKIN034863 | trichosanthin | ||||
| 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 |
| TCMBANKIN036898 | cucurbitacin B | Cucurbitacine (B); acetic acid [(5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-3,11-diketo-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-4-keto-1,1-dimethyl-hex-2-enyl] ester; LMST01010104; NSC144154; 19-nor-9.beta.,10.alpha.-Lanosta-5,23-diene-3,11,22-trione, 9-methyl-2.beta.,16.alpha.,20,25-tetrahydroxy-, 25-acetate; C08794; NSC49451; [(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate; acetic acid [(5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxohex-2-enyl] ester; Datisca principle B; [(E,5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetate; acetic acid [(E,5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxohex-2-enyl] ester; acetic acid [(E,5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-3,11-diketo-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-4-keto-1,1-dimethyl-hex-2-enyl] ester; [(5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetate; 19-Norlanosta-5,23-diene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-, (2.beta.,9.beta.,10.alpha.,16.alpha.,23E)-; [(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxo-hept-3-en-2-yl] ethanoate; [(6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate; Cucurbitacin B; Datiscn Principle B; [(6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxo-hept-3-en-2-yl] ethanoate; 19-Norlanosta-5,23-diene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-, [2.beta.,.gamma.,.beta.,10.alpha.,16.alpha.]-; NCI60_004184; 6199-67-3 | C38H50O8 | 635 | [C@@]1([H])(O[H])C([H])([H])[C@]2([H])C(=C([H])C([H])([H])[C@@]3([H])[C@@]2(C([H])([H])[H])C(=O)C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@@](O[H])(C(=O)\C([H])=C([H])\C(Oc4c([H])c([H])c([H])c([H]) c4C(C([H])([H])[H])=O)(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])C5([H])[H])[C@]35C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C1=O |
| TCMBANKIN038882 | Spinoside A | acetic acid [(3S,4S,5R,6S)-5-acetoxy-6-[[(8R,9R,10S,13R,14S,16R,17R)-17-[(E,1R)-1,5-dihydroxy-1,5-dimethyl-2-oxohex-3-enyl]-2-hydroxy-4,4,9,13,14-pentamethyl-3-oxo-7,8,10,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-hydroxy-3-tetrahydropy; acetic acid [(3S,4S,5R,6S)-5-acetoxy-6-[[(8R,9R,10S,13R,14S,16R,17R)-17-[(E,1R)-1,5-dihydroxy-2-keto-1,5-dimethyl-hex-3-enyl]-2-hydroxy-3-keto-4,4,9,13,14-pentamethyl-7,8,10,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-hydroxy-tetrahydrop; AC1O3E1M; 119626-74-3; C08809; [(3S,5R,6S)-5-acetyloxy-6-[[(8R,9R,10S,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2-hydroxy-4,4,9,13,14-pentamethyl-3-oxo-7,8,10,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-hydroxyoxan-3-yl] acetate; [(3S,4S,5R,6S)-5-acetyloxy-6-[[(8R,9R,10S,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2-hydroxy-4,4,9,13,14-pentamethyl-3-oxo-7,8,10,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-hydroxyoxan-3-yl] acetate; [(3S,4S,5R,6S)-5-acetoxy-6-[[(8R,9R,10S,13R,14S,16R,17R)-17-[(E,1R)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hex-3-enyl]-2-hydroxy-4,4,9,13,14-pentamethyl-3-oxo-7,8,10,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-hydroxy-tetrahydropyran-3-yl] ace; spinoside a; [(3S,4S,5R,6S)-5-acetyloxy-6-[[(8R,9R,10S,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxo-hept-4-en-2-yl]-2-hydroxy-4,4,9,13,14-pentamethyl-3-oxo-7,8,10,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-hydroxy-oxan-3-yl] ethanoate | 164.16 | ||
| TCMBANKIN039550 | DIHYDROCUCURBITACIN B | dihydrocucurbitacin b; Cucurbitacin B, dihydro-; [(6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxoheptan-2-yl] acetate; NSC106401; [(5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxo-hexyl] acetate; [(6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxo-heptan-2-yl] ethanoate; acetic acid [(5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-3,11-diketo-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-4-keto-1,1-dimethyl-hexyl] ester; 13201-14-4; acetic acid [(5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxohexyl] ester | C32H48O8 | 560.72 | CC(=O)OC(C)(C)CCC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(C(=O)C4(C)C)O)C)C)C)O)O |
| TCMBANKIN040487 | α-Hydroxymethylserine | alpha-hydroxymethylserine | 135.12 g/mol | ||
| TCMBANKIN041285 | Bryonolic acid | bryonolicacid; bryonolate; D:C-friedoolean-8-en-3beta-ol-29-oic acid; (2R,4aS,6aS,8aR,10S,12aS,14aS,14bR)-10-Hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-eicosahydro-picene-2-carboxylic acid; AIDS-075058; 24480-44-2; bryonolic acid; AIDS075058; (2R,4aS,6aS,8aR,10S,12aS,14aS,14bR)-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-2-carboxylic acid | C30H48O3 | 457 | C1([H])([H])C([H])([H])[C@](C([H])([H])[H])(C(C([H])([H])C([H])([H])[C@@](C([H])([H])[H])([C@]([H])(C([H])([H])[C@@](C(O[H])=O)(C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]2(C([H])([H])[H])C([H])([H])C3 ([H])[H])[C@]34C([H])([H])[H])=C4C([H])([H])C5([H])[H])[C@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@]1(O[H])[H] |
| TCMBANKIN046907 | 2-pentadecanone | CTK1A3861; W372404_ALDRICH; 2345-28-0; UNII-B2Q48J997N; 2-Pentadecanone, >=98.5%; CHEMBL3273567; I14-49263; AK-86074; SSV; DTXSID6062333; ST2419773; CJPNOLIZCWDHJK-UHFFFAOYSA-N; SCHEMBL336157; Methyl tridecyl ketone; KS-0000173E; ANW-25129; 2-Pentandecanone; J-015112; KB-174026; 2-PENTADECANONE; FEMA 3724; EINECS 219-064-8; Pentadecanone; AI3-11706; AN-19908; Pentadecan-2-one; ACMC-209g3f; AKOS009157795; RT-000810; MFCD00053712; AC1L1UYR; 2-Pentadecanone, analytical standard; P1063; LMFA12000056; ACM2345280; FEMA No. 3724; 2-Pentadecanone, >=98%, FG; FT-0613261; (3e,5e,7e,9e,11e,13e)-Pentadeca-3,5,7,9,11,13-Hexaen-2-One; AX8077970; B2Q48J997N; 1569AB; CHEBI:89254; ZINC1850860; MolPort-003-938-983; 76535_FLUKA | C15H30O | 226.4 | CCCCCCCCCCCCCC(=O)C |
| TCMBANKIN049272 | (E,Z,E)-7-Hydroxymethyl-3,11,15-trimethyl-2,6,10,14-hexadecatetraen-1-ol | Plaunotolum; CS 684; 2,6,10,14-HEXADECATETRAEN-1-OL, 7-(HYDROXYMETHYL)-3,11,15-TRIMETHYL-, (E,Z,E)-; KB-206886; CHEMBL285815; Plaunotol [INN:JAN]; CHEBI:32023; MV715X4634; Plaunotol (JAN/INN); C13273; Kelnac (TN); AK129839; 2,6-Octadiene-1,8-diol, 2-(4,8-dimethyl-3,7-nonadienyl)-6-methyl-, (Z,E,E)-; (2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol; D05XQE; AC1NQZNA; BG01019683; 18-hydroxygeranylgeraniol; Kelnac; D01803; (E,Z,E)-7-Hydroxymethyl-3,11,15-trimethyl-2,6,10,14-hexadecatetraen-1-ol; 2,6-Octadiene-1,8-diol, 2-(4,8-dimethyl-3,7-nonadienyl)-6-methyl-, (Z,E,E)- (9CI); 64218-02-6; Plaunotolum [Latin]; LS-74864; (e,z, e)-7-hydroxymethyl-3,11,15-trimethyl-2,6,10,14-hexadecatetraen-1-ol; SUWYPNNPLSRNPS-UNTSEYQFSA-N; (2Z,6E)-2-((E)-4,8-Dimethylnona-3,7-dien-1-yl)-6-methylocta-2,6-diene-1,8-diol; LMPR0104010010; SCHEMBL440334; AKOS016014100; CS-684; (2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-6-methylocta-2,6-diene-1,8-diol; ZINC13907151; plaunotol; (2Z,6E)-2-((3E)-4,8-Dimethyl-3,7-nonadienyl)-6-methyl-2,6-octadiene-1,8-diol; AJ-64509; UNII-MV715X4634; 7-hydroxymethyl-3,11,15-trimethyl-2,6,10,14-hexadecatetraen-1-ol; (2z,6e)-2-[(3e)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2, | C20H34O2 | 306.5 g/mol | C([H])([H])([H])\C(\C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])=C([H])\C([H])([H])C([H])([H])\C(=C([H])\C([H])([H])C([H])([H])\C(=C([H])\C([H])([H])O[H])\C([H])([H])[H])\C([H])([H ])O[H] |
| TCMBANKIN057964 | Immune globulin from;gaba;γ-aminobutyricacid;aminobutyric acid | γ-aminobutyric acid | C4H9NO2 | C(CC(=O)O)CN | |
| TCMBANKIN057966 | CIR | C00327; EINECS 206-759-6; (2S)-2-amino-5-(carbamoylamino)pentanoic acid; (2S)-2-amino-5-ureidopentanoic acid; C7629_SIGMA; (2S)-2-amino-5-ureido-pentanoic acid; Citrulline, L-; alpha-Amino-delta-ureidovaleric acid; NSC 27425; (2S)-2-amino-5-(aminocarbonylamino)pentanoic acid; Ornithine, N5-(aminocarbonyl)-; N5-(Aminocarbonyl)ornithine; Ornithine, N5-carbamoyl-, L- (8CI); N(5)-(aminocarbonyl)-L-ornithine; SBB012374; N(delta)-Carbamylornithine; N(5)-carbamoyl-L-ornithine; (2S)-2-amino-5-ureido-valeric acid; (S)-2-Amino-5-ureidopentanoic acid; SMP1_000146; 2-Amino-5-ureidovaleric acid; NCGC00142602-01; L-2-Amino-5-ureidovaleric acid; delta-Ureidonorvaline; CHEBI:16349; citrulline; AB1007188; AC1LCUKE; d-citrullin; AK-58500; (R)-2-Amino-5-ureidopentanoic acid; MFCD00216469; KB-49607; D-Citruline; AX8031821; D-Ornithine,N5-(aminocarbonyl)-; W-204205; H-D-Orn(carbamoyl)-OH; (2R)-5-(aminocarbonylamino)-2-azanyl-pentanoic acid; DTXSID90348463; MolPort-003-928-964; 594C519; H-D-Cit-OH; D-Citrulline, >=99.0%; CTK4C0068; N(5)-carbamoyl-D-ornithine; AmbotzHAA1014; AJ-33795; AB0012765; ST24035348; ACM13594520; D-Citrulline; A807006; PubChem17499; TC-108738; J-300336; CHEBI:49007; SC-10122; C6H13N3O3; SCHEMBL437142; ANW-19993; AM82460; AS-12983; GTPL4683; ZINC2166829; FT-0659369; 13594-51-9; B-7191; D0V2DT; (2R)-2-amino-5-(carbamoylamino)pentanoic acid | C6H13N3O3 | 175.19 g/mol | C(CC(C(=O)O)N)CNC(=O)N |
| TCMBANKIN058314 | benzaldehyde | SCHEMBL896024; A804633;Benzoic aldehyde;WLN: VHR;InChI=1/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6; CHEBI:17169; Benzene methylal; B1334_ALDRICH; Ald3-H_000012; Benzenecarbonal; Benzaldehyde (natural); NCGC00091819-01; AI3-09931; EINECS 202-860-4; Oil of Bitter Almond; ST5213372; Artificial essential oil of almond; nchembio814-comp15; LS-27; EPA Pesticide Chemical Code 008601; BENZALDEHYDE; W212709_ALDRICH; Ald3.1-H_000160; D02314; Benzenemethylal; NCI-C56133; HSDB 388; 12010_FLUKA; Ald3.1-H_000479; Benzaldehyde FFC; W212717_ALDRICH; Benzene carbaldehyde; CCRIS 2376; 100-52-7; Benzaldehyde [UN1990] [Class 9]; Caswell No. 076; Benzenecarboxaldehyde; Benzoyl hydride; Ald3.1-H_000798; Benzaldehyde (NF); Artificial Almond Oil; Benzaldehyde [USAN]; Artificial Bitter Almond Oil; 09143_FLUKA; C00261; Synthetic oil of bitter almond; FEMA No. 2127; ghl.PD_Mitscher_leg0.170; c0279; 418099_ALDRICH; Benzoic aldehyde; Benzene carboxaldehyde; benzanoaldehyde; Bitter almond oil, synthetic; UN1990; NSC7917; Almond Artificial Essential Oil; NSC 7917; Benzadehyde; Phenylmethanal | C7H6O | 106.12 | C1=CC=C(C=C1)C=O |
| TCMBANKIN058397 | PEY | AIDS017523; Phenanthrene, pure; Phenanthrene; Phenanthracene; 48569_SUPELCO; 77470_FLUKA; EINECS 201-581-5; NSC 26256; AIDS-017523; CCRIS 1233; HSDB 2166; P11425_ALDRICH; WLN: L B666J; Phenanthren; 85-01-8; c0431; CHEBI:28851; Phenanthren [German]; 9,10-Dehydrophenanthrene; C11422; Ravatite; 260878_ALDRICH; NCGC00091177-02; Phenanthrin; Phenanthrene solution; 40079_SUPELCO; NCGC00091177-01; NSC26256; PHENANTHRENE-RING; Coal tar pitch volatiles: phenanthrene; InChI=1/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10; 48661_SUPELCO; AI3-00790; P11409_ALDRICH; CTK7C1431; 1-BROMO-6-FLUORO-3,4-DIHYDRO-PHENANTHRENE; AKOS015963696; phenanthrene | C14H10 | 178.23 g/mol | C1=CC=C2C(=C1)C=CC3=CC=CC=C32 |
| TCMBANKIN058405 | dibenzofuran | DBFA806467; SCHEMBL5834531 Dibenzol(b,d)furan; BCR337_FLUKA; Dibenzofurans; 214827-48-2; 236373_ALDRICH; CHEBI:28145; ZINC03861058; InChI=1/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8; dibenzofuran; AI3-00039; Dibenzo(b,d)furan; AIDS018166; NCGC00164102-01; CPD-926; Dibenzo[b,d]furan; 2,2'-Biphenylene oxide; diphenylene oxide; EINECS 205-071-3; 132-64-9; NSC1245; AIDS-018166; c0039; NSC 1245; 2,2'-Biphenylylene oxide; [1,1'-Biphenyl]-2,2'-diyl oxide; 442549_SUPELCO; (1,1'-Biphenyl)-2,2'-diyl oxide; CCRIS 1436; HSDB 2163; C07729; | C12H8O | 168.19 | C1=CC=C2C(=C1)C3=CC=CC=C3O2 |
| TCMBANKIN058409 | anthracene | J-200085; WLN: L C666J; AN-10591; A804437; Bis-alkylamino anthracene; Anthrazen; Anthracene, ReagentPlus(R), 99%; I14-0862; Anthracene, sublimed grade, >=99%; InChI=1/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10; 40076_SUPELCO; NCGC00254204-01; acene; AC1L1QYH; Green Oil; Anthracene solution, certified reference material, 1000 mug/mL in acetone; Anthracene 10 microg/mL in Cyclohexane; ANTHRACENE- D10; Tetraoliven2G; Anthracen; Anthracene, zone-refined, >=99%; polyacenes; NCGC00163972-03; DSSTox_CID_3878; Anthracene, analytical standard; Anthracene, certified reference material, TraceCERT(R); SBB058663; MFCD00001240; TR-003345; Paranaphthalene; 141062_SIAL; Sterilite hop defoliant; PubChem22168; Tox21_300014; acenes; SC-47157; BBL005251; (9,10-Dihydroanthracene-9,10-diyl); NCGC00259775-01; Azen; KSC174Q2B; Anthracene, reagent grade, 97%; Coal tar pitch volatiles: anthracene; Tox21_202226; 48567_SUPELCO; AJ-27544; 54261-80-2; F0001-0328; UNII-EH46A1TLD7; H2412; NSC7958; CTK0H4820; C14315; CAS-120-12-7; HRACENE; Anthracene solution, certified reference material, 200 mug/mL in methanol; 331481_ALDRICH; EC 204-371-1; BDBM50060894; Anthracin; A0992; STK398386; EINECS 204-371-1; RP23973; p-Naphthalene; ZINC1586329; AC-5799; AI3-00155; MCULE-4141881437; DSSTox_RID_77216; CCRIS 767; 2-anthryl; 48647_SUPELCO; CHEMBL333179; RTR-003345; Anthracene, labeled with deuterium; L975; Epitope ID:119716; 1-anthryl; NCGC00163972-02; ACMC-1C338; TL8000534; 120-12-7; Paranaphtalene; AB1002596; anthracen-9-yl; 46051_RIEDEL; A0405; ST093055; FT-0622409; Anthracene 10 microg/mL in Acetonitrile; Anthracen [German]; Anthracene, vial of 250 mg, analytical standard; J3.643.785E; MWPLVEDNUUSJAV-UHFFFAOYSA-N; ANW-17457; Anthracene oil; DTXSID0023878; Tetra Olive N2G; ANTHRACENE, SCINTILLATOR; 10580_FLUKA; CHEBI:35298; NCGC00163972-01; DSSTox_GSID_23878; Deuterated anthracene; Acen; MolPort-001-760-592; Anthracene, puriss., 99.0%; 27735-76-8; ST24045970; CHEBI:35297; Anthracene 100 microg/mL in Acetonitrile; Anthracene, suitable for scintillation, >=99.0% (GC); Anthracene, pure; AK157086; ANTHRACENE; A89200_ALDRICH; AN3; Anthraxcene; AS-14635; UNII-0TNN3Q0D4D component MWPLVEDNUUSJAV-UHFFFAOYSA-N; NSC 7958; A0495; KB-74701; Anthracene oil (coal tar fraction); LS-627; Coal tar pitch volatiles:anthracene; AKOS000119970; HSDB 702; 61062-81-5; EH46A1TLD7; 27735-77-9; KS-00000UYL; NSC-7958; Green Oil; AI3-00155; 48647_SUPELCO; CCRIS 767; Anthrazen; InChI=1/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10; Coal tar pitch volatiles: anthracene; 40076_SUPELCO; 48567_SUPELCO; Anthracene, pure; ANTHRACENE; A89200_ALDRICH; paranaphthalene, anthracin, anthraxcene, green oil, tetra olive n2g; c0991; AN3; 120-12-7; 46051_RIEDEL; NSC7958; Anthracene solution; NSC 7958; Anthracene oil (coal tar fraction); Anthracen [German]; Anthracen; C14315; HSDB 702; 331481_ALDRICH; Paranaphthalene; Tetra Olive N2G; Anthracin; 141062_SIAL; 10580_FLUKA; CHEBI:35298; EINECS 204-371-1; NCGC00163972-01 | C14H10 | 178.23 | C1=CC=C2C=C3C=CC=CC3=CC2=C1 |
| 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 |
| TCMBANKIN058939 | 2- acetyl furan;2- acetylfurfun;Acetylfuran;2-furyl methyl ketone;1-(2-furanyl)ethanone | 2-acetylfuran;BG01496319; InChI=1/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1H; FT-0610977; Acetylfuran; CHEBI:59983; MolPort-000-871-221;Acetylfuran; NSC 49133; NSC49133; Ketone, 2-furyl methyl; A16254_ALDRICH; Furan, 2-acetyl-; 48200_FLUKA; FEMA No. 3163; MFCD00003242; | C6H6O2 | 110.11 g/mol | CC(=O)C1=CC=CO1 |
| TCMBANKIN058971 | cucurbitacin b | Cucurbitacin; Cucurbitacine (B); acetic acid [(5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-3,11-diketo-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-4-keto-1,1-dimethyl-hex-2-enyl] ester; LMST01010104; NSC144154; 19-nor-9.beta.,10.alpha.-Lanosta-5,23-diene-3,11,22-trione, 9-methyl-2.beta.,16.alpha.,20,25-tetrahydroxy-, 25-acetate; C08794; NSC49451; [(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate; acetic acid [(5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxohex-2-enyl] ester; Datisca principle B; [(E,5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetate; acetic acid [(E,5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxohex-2-enyl] ester; acetic acid [(E,5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-3,11-diketo-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-4-keto-1,1-dimethyl-hex-2-enyl] ester; [(5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetate; 19-Norlanosta-5,23-diene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-, (2.beta.,9.beta.,10.alpha.,16.alpha.,23E)-; [(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxo-hept-3-en-2-yl] ethanoate; [(6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate; Cucurbitacin B; Datiscn Principle B; [(6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxo-hept-3-en-2-yl] ethanoate; 19-Norlanosta-5,23-diene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-, [2.beta.,.gamma.,.beta.,10.alpha.,16.alpha.]-; NCI60_004184; 6199-67-3 | C32H46O8 | 558.7 | CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(C(=O)C4(C)C)O)C)C)C)O)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 |
| 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 |
| TCMBANKIN059947 | vitamin b1 | C63H88CoN14O14P | 1356.4 g/mol | CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)C(=C7C(C(C(=N7)C=C8C(C(C(=N8)C(=C4[N-]5)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+2] | |
| TCMBANKIN059955 | 2-methylnaphthalene | C11H10 | 142.2g/mol | CC1=CC2=CC=CC=C2C=C1 | |
| TCMBANKIN060677 | alpha-spinasteryl-β-d-glucoside | CCC(C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C | |||
| TCMBANKIN060683 | delta7-Stigmastenone-3;7-stigmastenone-3 | C29H48O | 412.69 | CCC(CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(=O)C4)C)C)C(C)C | |
| TCMBANKIN060684 | delta 7-stigmastenol | C29H50O | 414.7 g/mol | CCC(CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C)C(C)C | |
| TCMBANKIN060685 | 7-stigmastenol-3-o-β-d-glucoside | C35H60O6 | 576.85 | CCC(CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C | |
| TCMBANKIN060705 | methyl linoleate | C19H34O2 | 294.47 | CCC=CCC=CCC=CCCCCCCCC(=O)OC | |
| TCMBANKIN060706 | Linolenic acid ethyl ester | C20H34O2 | 306.48 | CCC=CCC=CCC=CCCCCCCCC(=O)OCC | |
| TCMBANKIN060853 | CHEBI:39932 | C8H16O | 128.21 | CCCCCC(C=C)O | |
| TCMBANKIN060906 | trans-2-nonenal | C9H16O | 140.22 g/mol | CCCCCCC=CC=O | |
| TCMBANKIN060971 | Satol | C18H36O | 268.48 g/mol | CCCCCCCCC=CCCCCCCCCO | |
| TCMBANKIN061030 | Methyl myristate | C15H30O2 | 242.4 g/mol | CCCCCCCCCCCCCC(=O)OC | |
| TCMBANKIN061036 | methyl pentadecanoate | C16H32O2 | 256.42 | CCCCCCCCCCCCCC(C)C(=O)O | |
| TCMBANKIN061058 | n-hexadecane | C16H34 | 226.44 g/mol | CCCCCCCCCCCCCCCC | |
| TCMBANKIN061063 | methyl hexadecanoate | C17H34O2 | 270.5 g/mol | CCCCCCCCCCCCCCCC(=O)OC | |
| TCMBANKIN061071 | Ethylpalmitate | C18H36O2 | 284.5 g/mol | CCCCCCCCCCCCCCCC(=O)OCC | |
| TCMBANKIN061085 | n-heptadecane;heptadecane;Heptadekan | C17H36 | 240.5 g/mol | CCCCCCCCCCCCCCCCC | |
| TCMBANKIN061090 | n-octadecane;Oktadekan;octadecane | C18H38 | 254.49g/mol | CCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061093 | ethyloctadecanoate | C20H40O2 | 312.5 g/mol | CCCCCCCCCCCCCCCCCC(=O)OCC | |
| TCMBANKIN061100 | nonadecane | C19H40 | 268.5 g/mol | CCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061116 | n-docosane;TWT;docosane | C22H46 | 310.6 g/mol | CCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061185 | 1-nonanol | C9H20O | 144.25 g/mol | CCCCCCCCCO | |
| TCMBANKIN061194 | 1-hexanol | C6H14O | 102.17 g/mol | CCCCCCO |
植物对应的疾病
| 疾病ID | 病名 | 疾病类型 | MeSH | 参考文献 |
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植物对应的靶点
| 靶点ID | 基因名 | 基因别名 | 描述 | 染色体位置 | Map_Location | 基因类型 |
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