Plant Summary
Plant Information
TCMBank_ID: | TCMBANKHE008565 |
ID: | TCMBANKHE008565 |
植物拉丁名: |
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功能与主治: | To enrich yin and clear heat, cool blood and supplement blood, lower blood sugar levels./Diabetes mellitus, dermatitis, rheumatism, diphtheria, acute tonsillitis, febrile diseases with vexation and thirst, steaming bone taxation fever, warm disease macular eruption, blood ejection due to blood heat, spontaneous external bleeding due to blood heat, flooding and spotting due to blood heat, hematuria due to blood heat, hematochezia due to blood heat, anemia with yellow complexion, palpitation and dizziness, blood depletion and amenorrhea. |
药用植物名: | 干地黄 |
药用部位: | dried root |
TCM_ID_id: | 3094 |
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 |
|---|
| TCMBANKIN000099 | leonurine | ST24030828; DTXSID70179434; CHEBI:80843; S-2878; Benzoic acid, 4-hydroxy-3,5-dimethoxy-, 4-[(aminoiminomethyl)amino]butyl ester; Ambotz24697-74-3; HY-N0741; MolPort-003-986-659; KS-000001AK; 7097-09-8; 4-carbamimidamidobutyl 4-hydroxy-3,5-dimethoxybenzoate; DS-1032; AC1L4PH9; 4-guanidinobutyl 4-hydroxy-3,5-dimethoxy-benzoate; ZINC5998954; 4-(diaminomethylideneamino)butyl 4-hydroxy-3,5-dimethoxybenzoate; 4-(diaminomethylideneamino)butyl 4-hydroxy-3,5-dimethoxy-benzoate hydrochloride; Leonurine-hydrochloride; FT-0659198; 697L743; CHEMBL1290284; AKOS025395615; N1392; CS-6071; 4-hydroxy-3,5-dimethoxybenzoic acid 4-guanidinobutyl ester; UNII-09Q5W34QDA; SC-45204; C16985; Benzoic acid, 4-hydroxy-3,5-dimethoxy-, 4-((aminoiminomethyl)amino)butyl ester; 09Q5W34QDA; SCM-198; VA11156; 4-(diaminomethylideneamino)butyl 4-hydroxy-3,5-dimethoxy-benzoate; MolPort-028-751-518; AN-3671; AB0023697; 4CH-009045; MFCD09839432; AK-39841; 4-Guanidino-n-butyl syringate; 7097/9/8; TL8002025; SCHEMBL2685302; BR-39841; 4-GUANIDINOBUTYL 4-HYDROXY-3,5-DIMETHOXYBENZOATE; Leonurine; 24697-74-3; W4810; Leonurine hydrochloride; AKOS015920020; 4-hydroxy-3,5-dimethoxy-benzoic acid 4-guanidinobutyl ester; D08KHD; AJ-64863 | C14H21N3O5 | 311.33 | COC1=CC(=CC(=C1O)OC)C(=O)OCCCCN=C(N)N |
| TCMBANKIN000100 | lauric acid | NCGC00090919-01; CHEBI:30805; n-Dodecanoic acid; Hydrofol acid 1255; Wecoline 1295; Neo-Fat 12-43; 8045-27-0; WLN: QV11; AI3-00112; AIDS-049202; 61609_FLUKA; Dodecylcarboxylate; DAO; EINECS 205-582-1; L-ALFA-LYSOPHOSPHATIDYLCHOLINE, LAUROYL; CCRIS 669; W261408_ALDRICH; lauric acid ; 8000-62-2; DODECANOIC ACID (LAURIC ACID); C-1297; 7632-48-6; ST023796; NSC5026; Laurinsaeure; C02679; [2-((1-OXODODECANOXY-(2-HYDROXY-3-PROPANYL))-PHOSPHONATE-OXY)-ETHYL]-TRIMETHYLAMMONIUM; Dodecoic acid; Laurostearic acid; NCGC00090919-02; 4-02-00-01082 (Beilstein Handbook Reference); lauricacid; Ninol AA62 extra; InChI=1/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14; Lauric acid (natural); Aliphat No. 4; NSC-5026; Coconut oil fatty acids; Lauric acid, pure; 203714-07-2; NCIOpen2_009480; CH3-[CH2]10-COOH; Dodecylic acid; Neo-Fat 12; AIDS049202; C12 fatty acid; HSDB 6814; Dodecanoic acid; L556_ALDRICH; Lauric acid; LAP; Univol U-314; FEMA No. 2614; 1-Undecanecarboxylic acid; Vulvic acid; 143-07-7; BRN 1099477; Duodecylic acid; LAU; W261416_ALDRICH; LMFA01010012; L4250_SIGMA; Hydrofol acid 1295 | C12H24O2 | 200.32 | CCCCCCCCCCCC(=O)O |
| TCMBANKIN000962 | campesterol | campesterol ; FT-0082089; Augelicincampesterol; (24R)-5-Ergosten-3; (1R,3AS,3BR,9AS,9BS,11AR)-1-[(2R,5R)-5,6-DIMETHYLHEPTAN-2-YL]-9A,11A-DIMETHYL-1H,2H,3H,3AH,3BH,4H,5H,5AH,6H,9H,9BH,10H,11H-CYCLOPENTA[A]PHENANTHREN-7-OL; A-ol; 24(R)-Ergost-5-en-3beta-ol; 24alpha-Methyl-5-cholesten-3beta-ol; AK307302; SC-66911; (8R,9S,10S,13R,14S,17R)-17-((2R,5R)-5,6-Dimethylheptan-2-yl)-10,13-dimethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol; AKOS027320474; MFCD00010475; Campesterin; MolPort-035-882-175 | C28H48O | 400.68 | CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C |
| TCMBANKIN000995 | Ramalic acid | ramalic acid; 2-hydroxy-4-(2-hydroxy-4-methoxy-3,6-dimethyl-benzoyl)oxy-6-methyl-benzoic acid; 2-hydroxy-4-[(2-hydroxy-4-methoxy-3,6-dimethylphenyl)-oxomethoxy]-6-methylbenzoic acid; Obtusatsaure; 2-hydroxy-4-(2-hydroxy-4-methoxy-3,6-dimethyl-phenyl)carbonyloxy-6-methyl-benzoic acid; AC1NSZZE; 500-37-8; ramalicacid; 2-hydroxy-4-(2-hydroxy-4-methoxy-3,6-dimethylbenzoyl)oxy-6-methylbenzoic acid | C18H18O7 | 346.33 | CC1=CC(=CC(=C1C(=O)O)O)OC(=O)C2=C(C(=C(C=C2C)OC)C)O |
| TCMBANKIN001074 | dihydrocarveol acetate | C12H20O2 | 196.29 g/mol | CC1CCC(CC1OC(=O)C)C(=C)C | |
| TCMBANKIN001272 | staphidine | C42H58N2O | 606.9 g/mol | CC12CCCC34C1CCC56C3CC(CC5C4N(C2)C)C7(C6)CCC89C1C8C=C2C3=C(CCC2(C1)C9O7)C1(CC(C3)CN(C1)C)C | |
| 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 |
| TCMBANKIN002503 | jioglutin D | jioglutin d | C11H18O6 | 246.26 g/mol | COC1CC2C(C(O1)OC)C3(C(C2O)O3)CO |
| TCMBANKIN002564 | jionoside b1 | jionoside b 1 | C37H50O20 | 814.78 | CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)OC)COC4C(C(C(C(O4)CO)O)O)O)OCCC5=CC(=C(C=C5)OC)O)O)O)O)O |
| TCMBANKIN004132 | 2'-Acetylangelicin | 8-acetyl-2-furo[2,3-h]chromenone; 2H-Furo[2,3-h]-1-benzopyran-2-one, 8-acetyl-; AK561871; AC1NST3Q; DTXSID00415690; CTK0A4744; 8-ACETYL-2H-FURO[2,3-H]CHROMEN-2-ONE; 185312-01-0; 2'-acetylangelicin; 8-acetylfuro[2,3-h]chromen-2-one; AKOS030536205; 8-Acetyl-2H-furo[2,3-h][1]benzopyran-2-one; 8-ethanoylfuro[2,3-h]chromen-2-one | C10H16O | 152.23 | CC(=O)C1=CC2=C(O1)C=CC3=C2OC(=O)C=C3 |
| TCMBANKIN005287 | cistanoside B | cistanoside b; 4-Hydroxy-3-methoxyphenethyl 3-O-alpha-L-rhamnopyranosyl-4-O-(4-hydroxy-3-methoxycinnamoyl)-6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | C37H50O20 | 814.78 | CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)OC)COC4C(C(C(C(O4)CO)O)O)O)OCCC5=CC(=C(C=C5)O)OC)O)O)O)O |
| TCMBANKIN005828 | Palmitone | AC1L3ST0; ST51047368; HEBTRIACONTANONE; MFCD00059222; AK162853; AI3-22025; EINECS 207-952-8; C-46470; 502-73-8; C08379; palmitone; MolPort-003-906-056; FT-0736780; Hentricontan-16-one; GR7I8IC3NO; Pentadecyl ketone; I14-101307; NSC-953; 16-HEBTRIACONTANONE; LMFA12000005; ZINC8221066; 16-Hentriacontanone; NSC953; CHEBI:5658; UNRFDARCMOHDBJ-UHFFFAOYSA-N; CTK1H0612; ACMC-1AU7I; Hentriacontan-16-one; UNII-GR7I8IC3NO; AKOS024390969; DTXSID00198239; SBB061344; SCHEMBL352951; Dipentadecyl ketone; ANW-30948; TC-119693; MCULE-1539628749; NSC 953 | C31H62O | 450.82 | CCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCC |
| TCMBANKIN005867 | vanilloyl calleryanin | C21H24O11 | 452.4 g/mol | COC1=C(C=CC(=C1)C(=O)OCC2=CC(=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O | |
| TCMBANKIN006458 | p-hydroxybenzoyl calleryanin | C20H22O10 | C1=CC(=CC=C1C(=O)OCC2=CC(=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O | ||
| TCMBANKIN006787 | Jioglutoside A | jioglutoside a | 346.37 | CC1C(C(C(C(O1)OC2C3C(C=CO2)C(C4C3(O4)CO)O)O)O)O | |
| TCMBANKIN007848 | Rehmaionoside C | (E)-4-[(1R,6R)-1-hydroxy-2,2,6-trimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-cyclohexyl]but-3-en-2-one; (E)-4-[(1R,6R)-1-hydroxy-2,2,6-trimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-cyclohexyl]but-3-en-2-one; (E)-4-[(1R,6R)-1-hydroxy-2,2,6-trimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]but-3-en-2-one; rehmaionoside c; (E)-4-[(1R,6R)-1-hydroxy-2,2,6-trimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-cyclohexyl]but-3-en-2-one; (E)-4-[(1R,6R)-1-hydroxy-2,2,6-trimethyl-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]cyclohexyl]but-3-en-2-one | C19H32O8 | 388.5 g/mol | CC(=O)C=CC1(C(CCCC1(C)OC2C(C(C(C(O2)CO)O)O)O)(C)C)O |
| TCMBANKIN007886 | Ajugoside | ajugoside | 390.43 | CC(=O)OC1(CC(C2C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)C | |
| TCMBANKIN008084 | Daturic acid | 67701-03-5; daturicacid; n-Heptadecylic acid; EINECS 266-928-5; 51610_FLUKA; 67255-22-5; 68424-37-3; NSC3743; (C16-C18)Alkylcarboxylic acid; WLN: QV16; NSC 3743; SDA 19-005-00; 8043-36-5; CH3-[CH2]15-COOH; EINECS 264-123-3; 506-12-7; LMFA01010017; AI3-36481; EINECS 208-027-1; Lead(2+) heptadecanoate; 37231-04-2; Margaric acid; 45237-52-3; n-Heptadecanoic acid; 7722-21-6; 63399-94-0; Heptadecylic acid; n-Heptadecoic acid; 39390-60-8; heptadecoic acid; 8000-11-1; (C16-C18) Alkylcarboxylic acid; daturic acid; C14-C22 Fatty acid residue; Heptadecanoic acid; Margarinsaeure; 8034-57-9; CHEBI:32365; Fatty acids, C14-22; 28829-31-4; 8034-58-0; 1338-46-1; 52051-63-5; EINECS 270-298-7; 8034-56-8; 4-02-00-01193 (Beilstein Handbook Reference); Fatty acids, C16-18; BRN 1781004; 176435-16-8; 45237-51-2; H3500_SIGMA; Margarinic acid | C17H34O2Pb | 478 g/mol | CCCCCCCCCCCCCCCCC(=O)O.[Pb] |
| TCMBANKIN009077 | 6-o-(4''-o-alpha-l-rhamnopyranpsyl)vanilloylajugol | C29H40O16 | |||
| TCMBANKIN009678 | Jiofuran | jiofuran; (4R,5S,6R)-6-(2-hydroxyethyl)-5,6-dihydro-4H-cyclopenta[c]furan-4,5-diol; 124902-19-8; AC1NSX7L | C9H12O4 | 184.19 g/mol | C1=C2C(C(C(C2=CO1)O)O)CCO |
| TCMBANKIN011090 | mioporosidegenin | C12H22O5 | CC1(CC(C2C1C(OC(C2)OC)OC)OC)O | ||
| TCMBANKIN011883 | jionoside c | C29H36O13 | 592.59 | CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)CO)OCCC4=CC=CC=C4)O)O)O)O | |
| TCMBANKIN011922 | danmelittoside | C15H22O10 | 362.33 g/mol | C1=COC(C2C1(C(C=C2CO)O)O)OC3C(C(C(C(O3)CO)O)O)O | |
| TCMBANKIN012620 | 6-O-β-D-gluecopyranosyllactinolid | ||||
| TCMBANKIN013593 | jioglutin E | jioglutin e | C11H20O5 | 232.27 g/mol | CC1(CC(C2C1C(OC(C2)OC)OC)O)O |
| TCMBANKIN014618 | Campesteryl ferulate | campesteryl ferulate | C38H56O4 | 576.85 | CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C=CC5=CC(=C(C=C5)O)OC)C)C |
| TCMBANKIN015283 | isoadiantone | C29H48O | 412.7 g/mol | CC(=O)C1CCC2(C1CCC3(C2CCC4C3(CCC5C4(CCCC5(C)C)C)C)C)C | |
| TCMBANKIN017141 | Dihydrocatalpol | dihydrocatalpol | C15H24O10 | 364.34 g/mol | C1COC(C2C1C(C3C2(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O |
| TCMBANKIN017954 | miraxanthin i | C14H18N2O7S | 358.37 g/mol | CS(=O)CCC(C(=O)O)N=CC=C1CC(NC(=C1)C(=O)O)C(=O)O | |
| TCMBANKIN017979 | 3, 4-dihydroxy-β-phenethyl-O-α-L-rhamnopyranosyl-(1 → 3)-O-β-D-galacopyranosyl-(1 → 6)-4-O-caffeoyl-β-D-glucopyranoside | 3,4-dihydroxy-β-phenethyl-O-α-Lrhamnopyranosyl-(1→3)-O-β-D-galacopyrano syl-(1→6)-4-O-caffeoyl-β-D-glucopyranoside | |||
| TCMBANKIN018017 | catalposide | CHEBI:3465; C09775; beta-D-Glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-6-((4-hydroxybenzoyl)oxy)-1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl, (1aS-(1a-alpha,1b-beta,2-beta,5a-beta,6-beta,6a-alpha))-; 6736-85-2; EINECS 229-789-1; Hydroxybenzoyl catalpol; Catalposide; 1a(S)alpha,1bbeta,2beta,5abeta,6beta,6aalpha-Hexahydro-6-((4-hydroxybenzoyl)oxy)-1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl beta-D-glucopyranoside | C22H26O12 | 482.4 g/mol | C1=COC(C2C1C(C3C2(O3)CO)OC(=O)C4=CC=C(C=C4)O)OC5C(C(C(C(O5)CO)O)O)O |
| TCMBANKIN019907 | Danshenol A | 189308-08-5; (1R)-10beta-Hydroxy-10-(2-oxopropyl)-1beta,6-dimethyl-1,2-dihydrophenanthro[1,2-b]furan-11(10H)-one; danshenol a; (1R,10S)-10-acetonyl-10-hydroxy-1,6-dimethyl-1,2-dihydronaphtho[1,2-g]benzofuran-11-one; AKOS032962671; (1R,10S)-10-hydroxy-1,6-dimethyl-10-(2-oxopropyl)-1,2-dihydronaphtho[1,2-g][1]benzoxol-11-one; 910856-25-6; Phenanthro(1,2-b)furan-11(2H)-one, 1,10-dihydro-10-hydroxy-1,6-dimethyl-10-(2-oxopropyl)-, (1R-trans)-; Phenanthro(1,2-b)furan-11(2H)-one, 1,10-dihydro-10-hydroxy-1,6-dimethyl-10-(2-oxopropyl)-, (1R,10S)-; Danshenol C | C21H20O4 | 336.38 | CC1COC2=C1C(=O)C(C3=C2C=CC4=C(C=CC=C43)C)(CC(=O)C)O |
| TCMBANKIN019972 | rehmapicroside | C16H26O8 | 346.37 | CC1=C(C(CCC1OC2C(C(C(C(O2)CO)O)O)O)(C)C)C(=O)O | |
| TCMBANKIN020192 | 6-O-vanilloylajugol | 6-O-Vanilloylajugol; 6-o-vanilloylajugol | C23H30O12 | 498.5 g/mol | CC1(CC(C2C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)OC(=O)C4=CC(=C(C=C4)O)OC)O |
| TCMBANKIN021214 | suchilactone | SCHEMBL15624884 | C21H20O6 | 368.38 | COC1=C(C=C(C=C1)CC2COC(=O)C2=CC3=CC4=C(C=C3)OCO4)OC |
| TCMBANKIN021476 | glutinoside | C17H24O10 | 388.37 | C1C2C3C(OC1OCC3(C(C2O)Cl)O)OC4C(C(C(C(O4)CO)O)O)O | |
| TCMBANKIN022132 | Dihydrochelerythrine | AIDS106788; 17,18-DIMETHOXY-21-METHYL-5,7-DIOXA-21-AZAPENTACYCLO[11.8.0.0(2),(1)?.0?,?.0(1)?,(1)?]HENICOSA-1,3,8,10,12,14(19),15,17-OCTAENE; AKOS032948894; AIDS-106788; 1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine; CTK5C8487; AC1Q703V; 1,2-Dimethoxy-12-methyl-12,13-dihydro-[1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridine; [1,3]Benzodioxolo[5,6-c]phenanthridine,12,13- dihydro-1,2-dimethoxy-12-methyl-; 3arw; CHEMBL400359; 3037AH; ZINC04716567; DTXSID70218913; (1,3)Benzodioxolo(5,6-c)phenanthridine, 12,13-dihydro-1,2-dimethoxy-12-methyl-; ZINC4716567; 4CN-2633; HY-N0903; AC1LABLI; dihydrochelerythrine; 3as1; 1,2-dimethoxy-12-methyl-12,13-dihydro[1,3]benzodioxolo[5,6-c]phenanthridine; 12,13-Dihydrochelerythrine; 6880-91-7; MolPort-000-165-434; CS-3820; SCHEMBL3864468 | C21H19NO4 | 349.38 | CN1CC2=C(C=CC(=C2OC)OC)C3=C1C4=CC5=C(C=C4C=C3)OCO5 |
| TCMBANKIN022980 | caprylic acid | Octanoic acid (mixed isomers); AK405365; octoic acid; Sodium octanoate, 96%; Natrium octanoat; D05220; NoO notEa AAENI; W279927_ALDRICH; Sodium caprylate [NF]; KB-80641; ACMC-1BO0W; MCULE-8227046407; AIDS-006110; Caprylsaeure; V0353; Octylic acid; Enantic acid; Caprylic acid sodium salt; Sodium n-octanoate; Sodium octoate; Octanoic acid sodium salt; 68937-74-6; MolPort-006-113-836; EINECS 273-085-7; C-8 acid; 21639_FLUKA; HSDB 5862; AIDS006110; NCGC00090957-02; 0ctanoic acid; BYKRNSHANADUFY-UHFFFAOYSA-M; Acid C-8; caprylic acid, sodium salt; 124-07-2; Acido octanoico [Spanish]; Sodium octanoate, 96% 100g; Octic acid; 124-07-2 (Parent); W279900_ALDRICH; KS-00000YJH; capryloate; Sodium caprylate: Octanoic acid; NCGC00090957-01; Acide octanoique [French]; Sodium caprylate (NF); O0034; UNII-9XTM81VK2B; LS-98001; 18312-04-4; neo-fat 8; OCTANOIC ACID (CAPRYLIC ACID); SODIUM OCTANOATE; 1-heptanecarboxylic acid; NCIOpen2_009358; LS-691; O3907_ALDRICH; 1984/6/1; CHEBI:132100; MFCD00058511; AN-19785; ANW-13619; NCIOpen2_002902; octanoic acid; C2875_SIGMA; I14-14709; TR-009215; Caprylic acid (natural); NSC 5024; CHEBI:28837; Octanoic acid [USAN:INN]; LMFA01010008; n-octylic acid; TRA-0206488; Fatty acids, C6-1O; FEMA No. 2799; BRN 1747180; 4-02-00-00982 (Beilstein Handbook Reference); 9XTM81VK2B; EINECS 204-677-5; CHEMBL557076; Octanoic acid, sodium salt; EINECS 217-850-5; ST51037190; KSC490S9T; caprylic acid ; NSC5024; AI3-50473; SCHEMBL56211; Sodium Salt of Caprylic Acid; Octanoic acid (USAN); Hexacid 898; CH3-[CH2]6-COOH; Sodium caprylate; Sodium caprylate [USAN]; RTR-009215; 27633_RIEDEL; Kaprylsaeure; C06423; Fatty acids, C6-10; caprylicacid; Acidum octanocium [Latin]; HSDB 821; AI3-04162; Kyselina kaprylova [Czech]; n-octanoic acid; FT-0701289; n-caprylic acid; AS-17478; CCRIS 4689; PubChem12870; 21650_FLUKA; n-Octoic acid; W-109735; CTK3J0999; AKOS015901906; OCA; Octansaeure; SC-79959; n-Octanoic Acid Sodium Salt; WLN: QV7; CPD-195; Octanoic acid, sodium salt (1:1); DTXSID3027451; D08999 | C8H16O2 | 144.21 g/mol | CCCCCCCC(=O)O |
| TCMBANKIN023626 | phenylalanine | ZB003544; 2S-alpha-phenylalanine; L-phenylalanine zwitterion; (2S)-2-azaniumyl-3-phenylpropanoate; CHEBI:58095; CJ-00758; AC1OBQNX; Phenyl alanine; (2S)-2-ammonio-3-phenylpropanoate | C9H11NO2 | 165.19 g/mol | C1=CC=C(C=C1)CC(C(=O)[O-])[NH3+] |
| TCMBANKIN024131 | jioglutolide | C9H14O4 | 186.2 g/mol | CC1(CC(C2C1COC(=O)C2)O)O | |
| TCMBANKIN025811 | celerin | C15H16O4 | 260.28 g/mol | CC(C)(C=C)C1=CC(=C(C2=C1C=CC(=O)O2)O)OC | |
| TCMBANKIN026482 | Docosyl caffeate | docosyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate; ST24046665; DOCOSYL (2E)-3-(3,4-DIHYDROXYPHENYL)PROP-2-ENOATE; MolPort-023-298-972; ZINC73220104; AKOS022184902; 2-Propenoic acid,3-(3,4-dihydroxyphenyl)-, docosyl ester, (2E)-; 3,4-Dihydroxycinnamic acid docosyl ester; Docosyl caffeate, analytical standard; W2091; docosyl caffeate; 28593-92-2; 3,4-Dihydroxybenzeneacrylic acid docosyl ester; CHEMBL1933863; SCHEMBL883452; 9375AF; AK104300; Docosyl 3-(3,4-dihydroxyphenyl)acrylate; Caffeic acid docosyl ester; 50432-89-8; AC1NSUY6 | C31H52O4 | 488.74 | CCCCCCCCCCCCCCCCCCCCCCOC(=O)C=CC1=CC(=C(C=C1)O)O |
| TCMBANKIN027432 | ethyl-alpha-d-galactoside | C8H16O6 | |||
| TCMBANKIN027929 | cistanoside g | C20H30O11 | CC1C(C(C(C(O1)OCCC2=CC=C(C=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O)O | ||
| TCMBANKIN028632 | dihydrocarveol | C10H18O | 154.25 g/mol | CC1CCC(CC1O)C(=C)C | |
| TCMBANKIN029801 | Cistanoside A | LS-71543; cistanoside a | C36H48O20 | 800.75 | CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)COC4C(C(C(C(O4)OC)O)O)O)OCCC5=CC(=C(C=C5)O)OC)O)O)O)O |
| TCMBANKIN030400 | 6-O-p-coumaroylajugol | 6-o-p-coumaroylajugol | 524.57 | CC1(CC(C2C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)OC(=O)C=CC4=CC=C(C=C4)O)O | |
| TCMBANKIN030476 | jionoside e | C35H46O19 | 770.73 | CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC=C(C=C3)O)COC4C(C(C(C(O4)CO)O)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O | |
| TCMBANKIN031705 | 3,4-Dihydroxy-beta-phenethyl-O-beta-D-glucopyranosyl-(1-3)-O-alpha-L-rhmnopyranosyl-(1-6)-4-O-caffeoyl-beta-D-glucopyranoside_qt | 476.52 | |||
| TCMBANKIN033142 | Ajugol | BG01061545; AC1O562A; (2S,3S,4R,5R,6S)-6-[[(4aS,7S,7aR)-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-2-(hydroxymethyl)oxane-2,3,4,5-tetrol; ajugol; 9077AF; beta-D-Glucopyranoside, 1,4a,5,6,7,7a-hexahydro-5,7-dihydroxy-7-methylcyclopenta(c)pyran-1-yl, (1S-(1alpha,4aalpha,5alpha,7alpha,7aalpha))-; (2S,3S,4R,5R,6S)-6-{[(4AS,7S,7AR)-7-HYDROXY-7-METHYL-1H,4AH,5H,6H,7AH-CYCLOPENTA[C]PYRAN-1-YL]OXY}-2-(HYDROXYMETHYL)OXANE-2,3,4,5-TETROL | C15H24O9 | 348.35 | CC1(CCC2C1C(OC=C2)OC3C(C(C(C(O3)(CO)O)O)O)O)O |
| TCMBANKIN033149 | Cistanoside F | cistanoside f | C21H28O13 | 488.4 g/mol | CC1C(C(C(C(O1)OC(C(C=O)O)C(C(CO)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O)O |
| TCMBANKIN033232 | jionoside b2 | jionoside b 2 | C37H50O20 | 814.78 | |
| TCMBANKIN034069 | jioglutoside b | C23H34O13 | 518.51 | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C4C(CCC4=C)C(=CO3)C(=O)OC)O)O)O)O)O)O | |
| TCMBANKIN034964 | glutinosone | C14H20O2 | 220.31 g/mol | CC1C2CC(CCC2=CC(=O)C1O)C(=C)C | |
| TCMBANKIN035440 | dauricine | AKOS015965146; AC-20217; SCHEMBL677474; 524-17-4 | C38H44N2O6 | 624.77 | CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC)OC |
| TCMBANKIN036162 | jioglutin C | jioglutin c | 232.26 | COC1CC2C3C(O1)OCC3(C(C2O)O)O | |
| 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 |
| TCMBANKIN036525 | echinatine | 743IO8EFVG; AI3-51768; [(7S,8S)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate; AKOS030532774; Echinatine; UNII-743IO8EFVG; AK557898; [(7S,7AR)-7-HYDROXY-5,6,7,7A-TETRAHYDRO-3H-PYRROLIZIN-1-YL]METHYL (2S)-2-HYDROXY-2-[(1S)-1-HYDROXYETHYL]-3-METHYLBUTANOATE; Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, (1S-(1-alpha,7(2R,3S),7a-alpha))-; 480-83-1; LS-46251; Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-t; NSC 89937; ZINC5481951; (2S,3S)-((1S,7AR)-1-hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl 2,3-dihydroxy-2-isopropylbutanoate | C15H25NO5 | 299.36 g/mol | CC(C)C(C(C)O)(C(=O)OCC1=CCN2C1C(CC2)O)O |
| TCMBANKIN036823 | acteoside | (E)-3-(3,4-dihydroxyphenyl)acrylic acid [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-methylol-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] ester; Verbascoside; 22323-52-0; AKOS015965213; Acteoside; [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate; Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-, 4-(3-(3,4-dihydroxyphenyl)-2-propenoate), (E)-beta-D-; AIDS030638; AC-6026; BC216166; 61276-17-3; (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-3-tetrahydropyranyl] ester; Kusaginin; [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate; [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate; NSC 603831; (B864379); acteoside ; 27625-92-9; AIDS-030638; C10501; .beta.-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl3-O-(6-deoxy-.alpha.-L-mannopyranosyl)-, 4-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate]; SCHEMBL18826154 | C29H36O15 | 625 | [C@@]1([H])(OC(=O)\C([H])=C([H])\c2c([H])c([H])c(O[H])c(O[H])c2[H])[C@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])[H])O3)[C@@]([H])(O[H])[C@]([H])(OC([H])([H] )C([H])([H])c4c([H])c([H])c(O[H])c(O[H])c4[H])O[C@]1([H])C([H])([H])O[H] |
| TCMBANKIN036853 | catalpol | Catalpol; LMPR01020108; beta-D-Glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl, (1aS-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-; 2415-24-9; Catalpinoside; NCGC00163523-01; beta-D-Glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-6-hydroxy- 1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl, (1aS-(1a-alpha,1b-beta,2-beta,5a-beta,6-beta,6a-alpha))-; Catalposide, des-p-hydroxybenzoyl-; De(p-hydroxybenzoyl)catalposide; (1AS-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl-beta-D-glucopyranoside; C09773; EINECS 219-324-0 | C15H22O10 | 362.33 | C1=COC(C2C1C(C3C2(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O |
| TCMBANKIN036875 | geniposide | AKOS015965362; Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, methyl ester, (1S,4aS,7aS)-; 27745-20-6; Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, methyl ester, (1S-(1alpha,4aalpha,7aalpha))-; ZINC03882101; 24512-63-8; Geniposide; (1S,4aS,7aS)-7-(hydroxymethyl)-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester; methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylate; AC-20245; C09781; methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylate; (1S,4aS,7aS)-7-methylol-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester | C17H24O10 | 388.366 | [C@]1([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O2)OC([H])=C(C(OC([H])([H])[H])=O)[C@@]([H])(C([H])([H])C([H])=C3C([H])([H])O[H])[C@]13[H] |
| 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] |
| TCMBANKIN037791 | Glucosamine | 179.17 g/mol | |||
| TCMBANKIN038031 | Jilkinolide E | C20H28O2 | 300.435 | C1([H])([H])[C@]([H])(C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C2([H])[H])[C@]2(C([H])([H])[H])[C@@]3([H])C(=C([H])C(=C(C([H])([H])[H])C(=O)O4)[C@@]4([H])C3([H])[H])C1([H])[H] | |
| TCMBANKIN038143 | stachyose | O-alpha-D-galactopyranosyl-(1->6)o-alpha-D-galactopyranosyl-(1->6)O-alpha-D-galactopyranosyl-beta-D-fructofuranoside; 10094-58-3; C01613; Stachyose; beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside; 470-55-3; alpha-D-Galp-(1->6)-alpha-D-Galp-(1->6)-alpha-D-Glcp-(1<->2)-beta-D-Fruf; (2R,3R,4S,5S,6R)-2-[[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-tetrahydrofuranyl]oxy]-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxymethyl]tet; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxane-3,4,5-triol; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxymethyl]tetra; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3,; CHEBI:17164 | C24H42O21 | 667 | O([H])[C@]1([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(OC([H])([H])[C@]2([H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@]3([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H] )O[H])O[C@]3([H])O[C@]4([C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O4)C([H])([H])O[H])O2)O[C@]1([H])C([H])([H])O[H] |
| TCMBANKIN038697 | Reineckiagenin | 448.6 g/mol | |||
| TCMBANKIN038732 | Acetylcatalpol | acetylcatalpol | 402.44 | CC(=O)OCC12CC1C(C3C2C(OC=C3)OC4C(C(C(C(O4)CO)O)O)O)O | |
| TCMBANKIN040396 | Rehmaglutin B | rehmaglutin b | C9H13ClO5 | 236.65 | [C@]12([H])[C@]([H])([C@@](C([H])([H])O3)(O[H])[C@]([H])(Cl)[C@@]1([H])O[H])[C@]3([H])O[C@]([H])(O[H])C2([H])[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 |
| TCMBANKIN041855 | Melittoside | (2S,3R,4S,5S,6R)-2-[[(1S,4aS,5R,7aR)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-4a-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; (2S,3R,4S,5S,6R)-2-[[(1S,4aS,5R,7aR)-5-hydroxy-7-(hydroxymethyl)-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-5,7a-dihydro-1H-cyclopenta[c]pyran-4a-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; melittoside; (2S,3R,4S,5S,6R)-2-[[(1S,4aS,5R,7aR)-5-hydroxy-7-methylol-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-4a-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol; (2S,3R,4S,5S,6R)-2-[[(1S,4aS,5R,7aR)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-4a-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol | C21H32O17 | 556 | [C@@]12(OO[C@@]3([H])O[C@@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])[C@@]([H])(C(C([H])([H])O[H])=C([H])[C@@]1([H])O[H])[C@]([H])(OO[C@@]4([H])O[C@@]([H])(C([H])([H])O[H])[ C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])OC([H])=C2[H] |
| TCMBANKIN041924 | 2''-O-Feruloylaloesin | [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)-2,3-dihydrochromen-8-yl]oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate; AC1NSVGA | C29H32O12 | C1([H])([H])C(=O)c(c(C([H])([H])[H])c([H])c(O[H])c2[C@@]3([H])[C@]([H])(OC(=O)\C([H])=C([H])\c4c([H])c([H])c(O[H])c(OC([H])([H])[H])c4[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O3)c 2O[C@@]1([H])C([H])([H])C(=O)C([H])([H])[H] | |
| TCMBANKIN042120 | Rehmaglutin A | BDBM50429449; 103744-82-7; rehmaglutin a; CHEMBL2332356 | C9H14O5 | 202.2 g/mol | C1COC2C3C1C(C(C3(CO2)O)O)O |
| TCMBANKIN042318 | Rehmannioside A | 81720-05-0; (2S,3R,4S,5S,6R)-2-{[(1S,2S,4S,5S,6R,10S)-5-HYDROXY-2-(HYDROXYMETHYL)-3,9-DIOXATRICYCLO[4.4.0.0(2),?]DEC-7-EN-10-YL]OXY}-6-({[(2S,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}METHYL)OXANE-3,4,5-TRIOL; 720R050; rehmannioside a; CHEMBL3810015; BG01185770; Ambotz81720-05-0; ZINC85531912 | C21H32O15 | 524.5 g/mol | C1=COC(C2C1C(C3C2(O3)CO)O)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O |
| TCMBANKIN043426 | Mellitoxin | 310.3 g/mol | |||
| TCMBANKIN043626 | aucubin | AIDS031379; 1,4a,5,7a-Tetrahydro-5-hydroxy-7-hydroxymethylcyclopenta(c)pyran-1-yl-beta-D-glucopyranoside; MEGxp0_001729; 479-98-1; AIDS-031379; Aucubin; NSC 407293; 55561_FLUKA; LMPR01020107; AKOS015965329; ZINC04098334; (1S-(1alpha,4aalpha,5alpha,7aalpha))-1,4a,5,7a-Tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta(c)pyran-1-yl-beta-D-glucopyranoside; C09771; AC-20186; ACon1_002452; (2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol; EINECS 207-540-8; (2S,3R,4S,5S,6R)-2-((1S,4aR,5R,7aS)-5-Hydroxy-7-hydroxymethyl-1,4a,5,7a-tetrahydro-cyclopenta[c]pyran-1-yloxy)-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol; (2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-methylol-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol; (2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol | C15H22O10 | 362.329 | [C@@]12([H])[C@@]([H])(C(C([H])([H])O[H])=C([H])[C@@]1([H])O[H])[C@]([H])(OO[C@@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])OC([H])=C2[H] |
| TCMBANKIN045677 | Epimedin A | AN-33603; Epimedin-A; 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; AKOS025402177; 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro; 3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)c; 3-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetr; 5-Hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-7-{[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-4H-1-benzopyran-3-yl 6-deoxy-2-O-beta-D-glucopyranosyl-alpha-L-mann; AC-6039; opyranoside; epimedin a; DTXSID40704898; 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-methylol-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]ox | C39H50O20 | 838.8 | CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)OC4CC(C(C(C4O)O)O)CO)O)C5=CC=C(C=C5)OC)OC6C(C(C(C(O6)CO)O)O)O)O)O |
| TCMBANKIN046167 | Rehmannioside B | rehmannioside b | C27H42O20 | 687 | [C@@]12([H])[C@@]([H])([C@](C([H])([H])O[H])(O3)[C@@]3([H])[C@@]1([H])O[C@@]4([H])O[C@@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])[C@]([H])(O[C@@]5([H])O[C@@]([H])(C([H])([H] )O[C@@]6([H])O[C@@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]6([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]5([H])O[H])OC([H])=C2[H] |
| TCMBANKIN047089 | raffinose | Melitriose, Raffinose; alpha-D-Glucopyranoside, beta-D-fructofuranosyl O-alpha-D-galactopyranosyl (1 to 6)-; 6G-alpha-D-galactosylsucrose; alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranosyl beta-D-fructofuranoside; Gossypose; alpha-D-glucopyranoside, beta-D-fructofuranosyl O-alpha-D-galactopyranosyl-(1->6)-; 17629-30-0; alpha-D-Galp-(1->6)-alpha-D-Glcp-(1<->2)-beta-D-Fruf; alpha-D-Glucopyranoside, beta-D-fructofuranosyl O-alpha-D-galactopyranosyl-(1>6)- (9CI); beta-D-Fructofuranosyl-O-alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside; Raffinose; CHEBI:16634; 512-69-6; AIDS-014662; (2R,3R,4S,5S,6R)-2-[[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-tetrahydrofuranyl]oxy]-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]tetrahydropyran-3,4,5-triol; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3,4,5-triol; SCHEMBL16435154; O-alpha-D-Galactopyranosyl(1,6)-O-alpha-D-glucopyranosyl-(1,2)-beta-D-fructofuranoside; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3,4,5-triol; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol; C00492; beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside; AIDS014662 | C18H32O16 | 504 | O([H])C([H])([H])[C@]1([H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(OC([H])([H])[C@]2([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]3(O[C@]([H])(C([H])([H])O[H])[ C@@]([H])(O[H])[C@]3([H])O[H])C([H])([H])O[H])O2)O1 |
| TCMBANKIN047239 | rehmaglutin c | C9H12O5 | 200.19 | C1C2C(C=C(C2(OC1=O)CO)CO)O | |
| TCMBANKIN047334 | rehmannioside C | rehmannioside c; (2R,3R,4S,5R,6R)-2-[[(1S,4aR,5R,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol; AC1O3DVK | C21H34O14 | 510.49 | CC1(CC(C2C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O |
| TCMBANKIN048374 | Martynoside | [(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate; [(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(3-hydroxy-4-methoxy-phenyl)ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate; (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid [(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-3-tetrahydropyranyl] ester; [(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(3-hydroxy-4-methoxy-phenyl)ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-3-yl] (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate; (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid [(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(3-hydroxy-4-methoxy-phenyl)ethoxy]-2-methylol-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] ester; martynoside | C31H40O15 | 652.64 | CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)OC)CO)OCCC4=CC(=C(C=C4)OC)O)O)O)O)O |
| TCMBANKIN048998 | jionoside d | C30H38O15 | 638.61 | CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)OC)O)O)O)O)O | |
| TCMBANKIN049137 | 6-O-(4-Methoxybenzoyl)-ajugol | 482.5 g/mol | |||
| TCMBANKIN049623 | verbascose | C30H52O26 | 828.72 | C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC3C(C(C(C(O3)OCC4C(C(C(C(O4)OC5(C(C(C(O5)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O)O)O)O | |
| TCMBANKIN050149 | 2,6-NONADIENOL | EINECS 227-394-9; 2,6-Nonadien-1-ol; nona-2,6-dien-1-ol; Cucumber alcohol; 2,6-Nonadien-1-ol, (2E,6Z)-; (E,Z)-2,6-nonadienol; AI3-36036; 28069-72-9; (2E,6E)-Nona-2,6-dien-1-ol; (2E,6Z)-Nona-2,6-dien-1-ol; FEMA No. 2780; EINECS 248-816-8; 5820-89-3; 2,6-nonadienol; 2-trans-6-cis-Nonadien-1-ol; 2,6-Nonadien-1-ol, (E,Z)-; Violet-leaf alcohol; (E,Z)-2,6-Nonadien-1-ol; 7786-44-9; ZINC02012062; EINECS 232-097-2 | C9H16O | 140.22 | CCC=CCCC=CCO |
| TCMBANKIN057935 | D-sedoheptulose | (3S,4R,5R,6R)-1,3,4,5,6,7-hexahydroxyheptan-2-one; CHEBI:16802; D-Altro-2-heptulose; D-altro-hept-2-ulose;l-galactoheptulose;d-mannoheptulose;Sedoheptulose; (3S,4R,5R,6R)-1,3,4,5,6,7-hexahydroxyheptan-2-one; D-Sedoheptulose, >=95% (TLC); ZINC8579422; altro-Heptulose; 40A0W1XJ6X; UNII-40A0W1XJ6X; AC1NUSHL; SCHEMBL119427; CHEBI:16802; D-altro-hept-2-ulose; D-Altro-2-heptulose; 3019-74-7;L-Galactoheptulos; D-Sedoheptulose, >=95% (TLC); ZINC8579422; altro-Heptulose; 40A0W1XJ6X; UNII-40A0W1XJ6X; D-Mannoheptulose; AC1NUSHL; SCHEMBL119427; CHEBI:16802; D-altro-hept-2-ulose; D-Altro-2-heptulose; 3019-74-7 | C7H14O7 | 210.18 g/mol | C(C(C(C(C(C(=O)CO)O)O)O)O)O |
| TCMBANKIN057963 | succinic acid | NCGC00159372-02; AIDS017693; Bernsteinsaure; succ; nchembio856-comp9; SIN; Butanedioic acid diammonium salt; InChI=1/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8; Bernsteinsaeure; ST5213944; nchembio.2007.47-comp2; 4-02-00-01908 (Beilstein Handbook Reference); 623158-99-6; LMFA01170043; BRN 1754069; butanedioic acid; Succinic acid (8CI); acide butanedioique; Dihydrofumaric acid; Katasuccin; 110-15-6; WLN: QV2VQ; FMR; AI3-06297; EINECS 203-740-4; Kyselina jantarova [Czech]; Amber acid; 398055_SIAL; 1,4-Butanedioic acid; S3674_SIAL; succinicacid; Ethylene dicarboxylic acid; 1,4-BUTANEDIOIC ACID (SUCCINIC ACID); S7501_SIAL; NSC25949; Bernsteinsaure [German]; acide succinique; NSC 106449; HOOC-CH2-CH2-COOH; Butandisaeure; 1,2-Ethanedicarboxylic acid; Acidum succinicum; Asuccin; C00042; Wormwood acid; ethylenesuccinic acid; Wormwood; 14078_FLUKA; Butanedionic acid; NSC106449; W502707_ALDRICH; W502715_ALDRICH; NCGC00159372-03; AIDS-017693; spirit of amber; A 12084; CHEBI:15741; Butanedioic acid (9CI); S9512_SIGMA; 14079_FLUKA; HSDB 791; Amber acid; amber acid | C4H6O4 | 118.09 g/mol | C(CC(=O)O)C(=O)O |
| TCMBANKIN057964 | Immune globulin from;gaba;γ-aminobutyricacid;aminobutyric acid | γ-aminobutyric acid | C4H9NO2 | C(CC(=O)O)CN | |
| TCMBANKIN058116 | (z,e)-2-(3,4-dihydroxyphenyl)ethenyl ester of 3-(3,4-dihydroxyphenyl)-2-propenoic acid | 3-(3,4-dihydroxyphenyl)-2-propenoicacid(z, e)-2-(3,4-dihydroxyphenyl)ethenyl ester | C17H14O6 | C1=CC(=C(C=C1C=CC(=O)OC=CC2=CC(=C(C=C2)O)O)O)O | |
| TCMBANKIN058306 | cinnamic acid | Cinnamic acid, (Z)-; trans-beta-Carboxystyrene; (Z)-3-phenylprop-2-enoate; Cinnamylic acid; trans-Zimtsaeure; Benzenepropenoic acid; Zimtsaeure; cinnamic acid ; 3-phenylprop-2-enoic acid; C80857_ALDRICH; 102-94-3; 133760_ALDRICH; AIDS-017619; tert-.beta.-Phenylacrylic acid; BRN 1905952; STK286093; InChI=1/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11; CCRIS 3190; NSC174025; 3-Phenylpropenoic acid; CHEBI:35700; W228818_ALDRICH; cinnamicacid; (E)-3-Phenyl-2-propenoic acid; 4-09-00-02002 (Beilstein Handbook Reference); NSC623441; AC1OAGPW; 140-10-3; Benzylideneacetic acid; NSC44010; Zimtsaeure [German]; 2-Propenoic acid, 3-phenyl-, (E)-; 3-Phenyl-2-propenoic acid; NSC9189; 2-Propenoic acid, 3-phenyl-, (Z)-; trans-3-Phenylacrylic acid; C10438; W228826_ALDRICH; Cinnamic acid, (E)-; WLN: QV1U1R; NCGC00165979-01; NSC 44010; CHEBI:27386; (2Z)-3-phenylacrylate; trans-Cinnamic acid; (Z)-Cinnamic acid; (2E)-3-phenylprop-2-enoic acid; Acidum cinnamylicum; (2E)-3-phenyl-2-propenoic acid; 621-82-9; cis-.beta.-Carboxystyrene; PHENYLETHYLENECARBOXYLIC ACID; EINECS 210-708-3; 2-Propenoic acid, 3-phenyl-; 3-Phenylacrylic acid; CHEBI:35697; EINECS 205-398-1; cis-Cinnamic acid; BRN 0507757; C00423; (2Z)-3-phenylprop-2-enoate; Kyselina skoricove [Czech]; Phenylacrylic acid; Cinnamic acid; Cinnamic acid (natural); (E)-3-phenylacrylic acid; cis-cinnamate; AI3-00891; (2E)-3-phenylacrylic acid; Allocinnamic acid; (E)-3-phenylprop-2-enoic acid; (E)-Cinnamic acid; beta-phenylacrylic acid; AIDS017619; trans-Cinnamate; trans-.beta.-Carboxystyrene; trans-3-Phenyl-2-propenoic acid; 96340_FLUKA; FEMA No. 2288; trans-3-Phenylpropensaeure; NSC 9189; Isocinnamic acid; AI3-23709; cis-Cinnamic acidanion; E-cinnamicacid; E-cinnamic acid; E- cinnamicacid; 3-Phenylpropenoic acid | C9H8O2 | 148.16 | C1=CC=C(C=C1)C=CC(=O)O |
| TCMBANKIN058330 | phenylacetic acid | 2-phenylethanoate; 29446-EP2298765A1; 29446-EP2311842A2; 29446-EP2298764A1; BDBM36183; phenylacetate(1-); 2-phenylacetate; 29446-EP2275420A1; AC1N9FQQ; AKOS024258138; WLJVXDMOQOGPHL-UHFFFAOYSA-M; phenylacetate anion; 29446-EP2295055A2; c0211; ZB011530; 29446-EP2305671A1; phenylacetic acid anion; 29446-EP2305642A2; phenylacetate; 29446-EP2298777A2; AB01275449-01; CHEBI:18401; A804964; 29446-EP2289876A1; Benzeneacetate; 29446-EP2298748A2; 29446-EP2311453A1; 29446-EP2295416A2; phenylaceticacid; benzyl formate; phenyl acetate | C8H7O2- | 135.14 g/mol | C1=CC=C(C=C1)CC(=O)[O-] |
| TCMBANKIN058442 | danmelittoside | C15H22O10 | 362.33 g/mol | C1=COC(C2C1(C(C=C2CO)O)O)OC3C(C(C(C(O3)CO)O)O)O | |
| TCMBANKIN058450 | ADO | nchembio.2007.56-comp13; CHEBI:16335; Bio1_000437; 9-beta-D-Ribofuranosyl-9H-purin-6-amine; AIDS-001224; 9beta-D-Ribofuranosyladenine; BSPBio_001796; beta-Adenosine; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol; beta-D-Ribofuranoside, adenine-9; D00045; 46969-16-8; SDCCGMLS-0003108.P003; 4-Aminopyrazolo[3,4-d]pyrimidine ribonucleoside; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 6-Amino-9-.beta.-ribofuranosyl-9H-purine; NSC 7652; Bio1_001415; Adenosine (JAN/USP); Spectrum2_001257; Spectrum3_000288; Adenosine, homopolymer; ADN; Caswell No. 010B; Adenocard; C00212; SR 96225; Adenocard (TN); EINECS 200-389-9; KBio3_001296; 9H-Purin-6-amine, 9beta-D-ribofuranosyl-; Polyadenosine; beta-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-; (2R,3R,4S,5R)-2-(6-amino-9-purinyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; MLS000069638; AI3-52413; 9-beta-D-Ribofuranosidoadenine; A9251_SIGMA; Adenoscan (TN); Bio1_000926; ZINC02169830; CCRIS 2557; NCGC00023673-05; Ade-Rib; nchembio706-5; 30143-02-3; 6-Amino-9-beta-D-ribofuranosyl-9H-purine; Adenosin [German]; NSC 627048; SMR000058216; 9-beta-D-Ribofuranosyladenine; SPBio_001194; beta-D-Adenosine; Adenosine [USAN:BAN]; Polyriboadenosine; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; AIDS001224; 6-Amino-9beta-D-ribofuranosyl-9H-purine; ST009496; Adenoscan; A4036_SIGMA; SPECTRUM1500107; 46946-45-6;SCHEMBL170902; adenosine ; AKOS015960342; AC-5504; BC200893; Adenosine;adenosine;adeninenucleoside | C10H13N5O4 | 267.24 g/mol | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N |
| TCMBANKIN058551 | Geniposidic acid | geniposidicacid; 27741-01-1; geniposidic acid; (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid; (1S,4aS,7aS)-7-(hydroxymethyl)-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid; (1S,4aS,7aS)-7-methylol-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid; (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid; 27932-72-5; C11673; Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, (1S-(1alpha,4aalpha,7aalpha))-; Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, (1S,4aS,7aS)-,Geniposidic,Genioisidic acid | C16H22O10 | 374.34 | C1C=C(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)CO |
| TCMBANKIN059278 | rehmaionoside b | C19H34O8 | 390.47 | CC(C=CC1(C(CCCC1(C)OC2C(C(C(C(O2)CO)O)O)O)(C)C)O)O | |
| TCMBANKIN059566 | 6-O-E-Feruloylajugol | 524.57 | CC1(CC(C2C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)OC(=O)C=CC4=CC(=C(C=C4)O)OC)O | ||
| TCMBANKIN059605 | 2α-hydroxyoleanolic acid;crategolicacid;2beta-hydroxyoleanolic acid;bredemolic acid;2a- hydroxy oleanolic acid;2α,3α-dihydroxyolean-12-en-28-oic acid;masilinic acid;(2β,3β)-maslinicacid;3-epimaslinic acid ;2α,3β-dihydroxyolean-12-en-28-oicacid;augustic acid ;Maslinic acid | C30H48O4 | 472.7 | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)C(=O)O)C | |
| TCMBANKIN059723 | rehmapicraside | C16H26O8 | 346.37 | CC1=C(C(CCC1OC2C(C(C(C(O2)CO)O)O)O)(C)C)C(=O)O | |
| TCMBANKIN059846 | aloeresinA | C28H28O11 | 540.52 g/mol | CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)C3C(C(C(C(O3)CO)O)O)OC(=O)C=CC4=CC=C(C=C4)O)O | |
| TCMBANKIN060145 | rhamnose | C6H12O5 | 164.16 g/mol | CC1C(C(C(C(O1)O)O)O)O | |
| TCMBANKIN060208 | isoacteoside | C29H36O15 | 624.6 g/mol | CC1C(C(C(C(O1)OC2C(C(OC(C2O)OCCC3=CC(=C(C=C3)O)O)COC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O)O | |
| TCMBANKIN060211 | acteoside | C29H36O15 | 624.6 g/mol | CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O | |
| TCMBANKIN060214 | purpureaside b | C35H46O20 | 786.73 | CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)COC4C(C(C(C(O4)CO)O)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O | |
| TCMBANKIN060217 | jionoside a1 | C36H48O20 | 800.75 | CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)OC)COC4C(C(C(C(O4)CO)O)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O | |
| TCMBANKIN060272 | forsythoside a | C29H36O15 | 624.6 g/mol | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC(=C(C=C3)O)O)O)O)OC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O | |
| TCMBANKIN060309 | 8-epi-Loganic acid | C16H24O10 | 376.36 g/mol | CC1C(CC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O | |
| TCMBANKIN060679 | stigmasterol | C29H48O | 412.7 g/mol | CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C | |
| TCMBANKIN060680 | stigmasterol-3-glucoside | C35H58O6 | 574.83 g/mol | CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C | |
| TCMBANKIN060691 | poriferast-5-en-3beta-ol;22,23-dihydrostigmasterol;gamma-sitosterol;clionasterol;beta-dihydrofucosterol | C29H50O | 414.71 g/mol | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C | |
| TCMBANKIN060693 | Sitogluside | C35H60O6 | 576.85g/mol | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C | |
| TCMBANKIN060905 | Ricineic acid | C18H32O2 | 280.45 | CCCCCCC=CC=CCCCCCCCC(=O)O | |
| TCMBANKIN060910 | cis-9-hexadecenoic acid | C16H30O2 | 254.41 g/mol | CCCCCCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060944 | nonanoic acid | C9H18O2 | 158.24 g/mol | CCCCCCCCC(=O)O | |
| TCMBANKIN060980 | caproic acid;capric acid;n-decanoic acid;NON | C10H20O2 | 172.26 g/mol | CCCCCCCCCC(=O)O | |
| TCMBANKIN061006 | lauric acid | C12H24O2 | 200.32 | CCCCCCCCCCCC(=O)O | |
| TCMBANKIN061014 | n-dodecanal | C12H24O | 184.32 g/mol | CCCCCCCCCCCC=O | |
| TCMBANKIN061029 | myristic acid | C14H28O2 | 228.37 | CCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061037 | 1-pentadecene | C15H30 | 210.4 g/mol | CCCCCCCCCCCCCC=C | |
| TCMBANKIN061044 | Pentadecanoate | C15H29O2- | 241.39 g/mol | CCCCCCCCCCCCCCC(=O)[O-] | |
| TCMBANKIN061091 | stearic acid | CH3(CH2)16COOH | 284.5 g/mol | CCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061095 | TGL | C57H110O6 | 891.5 g/mol | CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC | |
| TCMBANKIN061101 | Nonadecylic acid | C19H38O2 | 298.5 g/mol | CCCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061105 | Eicosanoic acid | C20H40O2 | 312.53 g/mol | CCCCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061112 | heneicosanoicacid | C21H42O2 | 326.6 g/mol | CCCCCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061141 | n-hentriacontane | C31H64 | 436.8 g/mol | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061805 | myristicin; 1,3-Benzodioxole,4-methoxy-6-(2-propenyl)-; asaricin | 4-Methoxy-6-(2-propenyl)-1,3-benzodioxole; 04PD6CT78W; BNWJOHGLIBDBOB-UHFFFAOYSA-N; 4-methoxy-6-prop-2-enyl-1,3-benzodioxole; 1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)-; V0156; STK693140; Myristicin, analytical standard; ZB013050; Myristicin from parsley leaf oil, >=85% (HPLC), oil; UNII-04PD6CT78W; CCG-208543; NCGC00257726-01; Myristicin; 4-Methoxy-6-[2-propenyl]-1,3-benzodioxole; C10480; FCH920323; 6-Allyl-4-methoxy-1,3-benzodioxole; Myristicine; Benzene, 5-allyl-1-methoxy-2,3-(methylenedioxy)-; HMS2270K14; SCHEMBL68041; BRN 0166218; NCGC00091427-03!4-methoxy-6-prop-2-enyl-1,3-benzodioxole; DSSTox_RID_77884; 1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)- (9CI); SBB014760; CAS-607-91-0; 607M910; SR-01000838340-3; 1-Allyl-3-methoxy-4,5-methylenedioxybenzene; M9411_SIGMA; 6-allyl-4-methoxy-1,3-benzodioxol; 1-Methoxy-2,3-methylenedioxy-5-(2-propenyl)benzene; ZERO/009047; AKOS005604763; Myristicin (6CI); MFCD00133549; Myristicin from parsley leaf oil; LS-2163; DSSTox_CID_5693; MLS001065535; MCULE-6209105333; 607-91-0; 4-methoxy-6-(prop-2-en-1-yl)-1,3-benzodioxole; CHEBI:68234; DSSTox_GSID_25693; CCRIS 6782; Tox21_200172; 5-Allyl-2,3-(methylendioxy)anisole; 4-methoxy-6-prop-2-enyl-2H-benzo[d]1,3-dioxolene; 4-Methoxy-6-(2-propenyl)-1,3-benzodioxole, 9CI; ST097616; 3-methoxy,4,5-methylenedioxy-allylbenzene; EINECS 210-146-9; 5-Allyl-1-methoxy-2,3-(methylenedioxy)-Benzene; NCGC00091427-02; MolPort-003-925-569; 4-methoxy-6-(prop-2-en-1-yl)-2H-1,3-benzodioxole; CHEMBL481044; SC-21462; SMR000112534; API0025964; CTK5J3915; HSDB 3516; AC1L1HSS; AN-46392; ZINC403089; DTXSID1025693; FT-0672575; 5-19-02-00631 (Beilstein Handbook Reference); 09237_FLUKA; 5-Allyl-1-methoxy-2,3-(methylenedioxy)benzene; SR-01000838340; NCGC00091427-01; myristicin; 1-allyl-3,4-methylenedioxy-5-methoxybenzene | C11H12O3 | 192.21 g/mol | COC1=CC(=CC2=C1OCO2)CC=C |
| TCMBANKIN061924 | jioglutin B | jioglutin b; jioglutin A; jioglutin a | 250.7 | COC1CC2C3C(O1)OCC3(C(C2O)Cl)O |
植物对应的疾病
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植物对应的靶点
| 靶点ID | 基因名 | 基因别名 | 描述 | 染色体位置 | Map_Location | 基因类型 |
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