TCMBANKIN001066 |
precatorine |
DTXSID90190126; AC1L4VVB; 3,5-dihydroxy-4-{[(1-methylpyridinium-3-yl)carbonyl]oxy}benzoate; CTK4H6976; 3-(4-CARBOXYLATO-2,6-DIHYDROXYPHENOXYCARBONYL)-1-METHYLPYRIDIN-1-IUM; Precatorine; 3,5-dihydroxy-4-(1-methylpyridin-1-ium-3-carbonyl)oxybenzoate; 3-((4-Carboxy-2,6-dihydroxyphenoxy)carbonyl)-1-methyl pyridinium, hydroxide, inner salt; 36675-57-7; alpha-N,N-Dimethyl-L-tryptophan; AC1Q60MP |
C14H11NO6 |
289.24 g/mol |
C[N+]1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2[O-])C(=O)O)O |
TCMBANKIN004126 |
vulgaxanthin ii |
|
C14H16N2O8 |
340.28 g/mol |
C1C(NC(=CC1=CC=NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O |
TCMBANKIN007263 |
glutaric acid |
glutaricacid |
C5H8O4 |
132.11 g/mol |
C(CC(=O)O)CC(=O)O |
TCMBANKIN009708 |
prebetanin |
|
C24H26N2O16S |
630.5 g/mol |
C1C(NC(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)O)OC4C(C(C(C(O4)COS(=O)(=O)[O-])O)O)O)C(=O)O)C(=O)O)C(=O)O |
TCMBANKIN009878 |
oleanolic acid 3-o-beta-d-xylopyranosyl(1-6)-beta-d-glucopyranosyl(1-6)-beta-d-glucopyranoside |
|
C47H76O17 |
|
|
TCMBANKIN017757 |
Oleanolic acid-28-O-beta-D-glucopyranoside |
oleanolicacid-28-o-β-d-glucopyranoside; oleanolic acid-28-o-beta-d-glucopyranoside |
C36H58O8 |
618.8 g/mol |
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O)C |
TCMBANKIN028660 |
suffruticoside a |
Suffruticoside A |
C27H32O16 |
612.5 g/mol |
CC(=O)C1=C(C=C(C=C1)OC)OC2C(C(C(C(O2)COC3C(C(CO3)(COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O)O)O |
TCMBANKIN037277 |
Oleanolic acid |
Olean-12-en-28-oic acid, 3.beta.-hydroxy-; s2334; Caryophyllin; AIDS014809; Giganteumgenin C; SMR000445561; oleanolicacid; (3-beta)-3-Hydroxyolean-12-en-28-oic acid; AIDS-014809; Olean-12-en-28-oic acid, 3-hydroxy-, (3-beta)-; EINECS 208-081-6; NSC 114945; OLEANOLIC ACID; Olean-12-en-28-oic acid, 3-hydroxy-, (3beta)-; CCRIS 6493; AS-11663; SCHEMBL1699365; Virgaureagenin B; CHEBI:37659; MLS000697656; (4aS,5S,6aS,6bR,8R,8aR,10S,12aR,12bR,14bS)-10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid; AKOS022168208; O5504_SIGMA; MolPort-016-633-333; Oleanolic Acid; Olean-12-en-28-oic acid, 3-beta-hydroxy- (8CI); Oleanic acid; 3beta-Hydroxyolean-12-en-28-oic acid; 3-beta-Hydroxyolean-12-en-28-oic acid; ST057162; Olean-12-en-28-oic acid, 3beta-hydroxy- (8CI); NSC114945; Oleanolic Acid (Caryophyllin); Astrantiagenin C; Olean-12-en-28-oic acid, 3-hydroxy-, (3.beta.)-; 508-02-1; (4R,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3,4,4a,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4-carboxylic acid; (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid; oleanolic acid |
C30H48O3 |
457 |
C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])=C([C@@]([H])(C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]2(C(=O)O[H])C([H])([H])C3([H])[H])[C@@]34C(
[H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C5([H])[H])[C@@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H] |
TCMBANKIN038204 |
ferulic acid |
(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate; caffeic acid 3-methyl ether; ferulicacid; A803063; (E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoate; CJ-00500; ZB002373; ferulate; CHEBI:29749; (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate; 3-Methoxy-4-hydroxy-trans-cinnamate; (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate; Ferulic Acid; AC1NUT2L; ferulic acid |
C10H10O4 |
194.18 |
COC1=C(C=CC(=C1)C=CC(=O)O)[O-] |
TCMBANKIN044038 |
Betagarin |
|
C18H16O6 |
328.316 |
c12c(OC([H])([H])O1)c(OC([H])([H])[H])c3c(O[C@]([H])(c4c([H])c([H])c([H])c([H])c4OC([H])([H])[H])C([H])([H])C3=O)c2[H] |
TCMBANKIN046738 |
Vulpinic acid |
vulpinicacid |
|
322.3 g/mol |
|
TCMBANKIN049632 |
malonylawobanin |
Delphinidin 3-(6''-(E)-p-coumaroylglucoside)-5-(6''-malonylglucoside); malonyl awobanin; Malonylawobanin; LMPK12010299 |
C39H39O22+ |
859.7 g/mol |
C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=C([O+]=C4C=C(C=C(C4=C3)OC5C(C(C(C(O5)COC(=O)CC(=O)O)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)O)O)O)O |
TCMBANKIN057922 |
malonicacid |
malonic acid; MLI; AI3-15375; C00383; DICARBOXYLIC ACID C3; InChI=1/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7; Dicarboxylate; PROPANEDIOIC ACID MALONIC ACID; AIDS-017691; malonic acid; 1,3-Propanedioic acid; Malonic acid (8CI); propanedioic acid; Carboxyacetic acid; Methanedicarboxylic acid; C02028; METAHNEDICARBOXYLIC ACID; Dicarboxymethane; Malonate standard for IC; C04025; alpha,omega-Dicarboxylic acid; 141-82-2; AIDS017691; MLA; NSC8124; PROPANEDIOLIC ACID; Usaf ek-695; 4-02-00-01874 (Beilstein Handbook Reference); HOOC-CH2-COOH; ST5213926; 49323_FLUKA; Propanedioic acid (9CI); M1296_SIAL; 211863-95-5; nchembio.2007.22-comp12; WLN: QV1VQ; CHEBI:30794; Kyselina malonova [Czech]; Dicarboxylic acid; NSC 8124; BRN 1751370; EINECS 205-503-0; LMFA01170041; 46938U_SUPELCO; H2malo |
C3H4O4 |
104.06 g/mol |
C(C(=O)O)C(=O)O |
TCMBANKIN057949 |
sucrose |
Amerfand; 29253-78-9; Sucrose (TN); alpha-D-Glucopyranoside, beta-D-fructofuranosyl-; saccharose; Sugar, compressible (NF); S0389_SIGMA; D06530; C00089; 1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside; Sucrose, purified; 8027-47-2; 30027-72-6; 29764-06-5; 86101-30-6; NSC 406942; D06529; Sucrose [USAN:JAN]; 146187-04-4; ST5308554; Sugar, confectioner's; D(+)-Saccharose; S7903_SIGMA; GLC-(1-2)FRU; alpha-D-glucopyranosyl beta-D-fructofuranoside; FICOLL; 151756-02-4; Sugar spheres (NF); White soft sugar (JP15); Sucraloxum [INN-Latin]; Saccharum; alpha-D-Glc-(1-2)-beta-D-Fru; S9378_SIGMA; 76056-38-7; 47289_SUPELCO; D-Sucrose; Sugar spheres; 87430-66-8; 104242-10-6; (alpha-D-Glucosido)-beta-D-fructofuranoside; Table sugar; Sacharose; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; NCI-C56597; 47167-52-2; CCRIS 2120; alpha-D-Glucopyranoside, beta-D-fructofuranosyl, homopolymer; D06528; Microse; Cane sugar; Amerfond; 64533-66-0; White soft sugar; beta-D-Fruf-(2<->1)-alpha-D-Glcp; sugar; White sugar; SUC; 84097_FLUKA; Rock candy; beta-D-Fructofuranosyl-alpha-D-glucopyranoside; Fructofuranoside, alpha-D-glucopyranosyl, beta-D; 80165-03-3; 47257-91-0; CHEBI:17992; 47185-09-1; S5390_SIGMA; alpha-D-Glucopyranoside, beta-D-fructofuranosyl; S1888_SIGMA; 220376-22-7; D06533; 8030-20-4; S3929_SIGMA; S1174_SIGMA; 65545-99-5; Glucopyranoside, beta-D-fructofuranosyl, alpha-D; S2395_SIGMA; 78654-77-0; D06531; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol; SUCROSE; S5016_SIAL; 51909-69-4; 85456-51-5; D()-Saccharose; ZINC04217475; 84100_FLUKA; D00025; Confectioner's sugar; EINECS 200-334-9; Sugar, confectioner's (NF); 57-50-1; 100405-08-1; 92004-84-7; Beet sugar; S5391_SIGMA; Sucrose, dust; alpha-D-Glc-(1->2)-beta-D-Fru; beta-D-Fructofuranosyl alpha-D-glucopyranoside; 131932-12-2; HSDB 500; Sugar, compressible; AI3-09085; alpha-D-Glucopyranosylbeta-D-fructofuranoside; Rohrzucker; 16104_RIEDEL; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol; Granulated sugar; S8501_SIGMA; Sucrose, purified (JAN); 146054-35-5; Sucrose (JP15/NF); 9012-95-7; Sucrose, pure; 75398-84-4; 50857-68-6; (2R,3R,4S,5S,6R)-2-[[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-tetrahydrofuranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; 25702-74-3; D(+)-Sucrose |
C12H22O11 |
342.3 g/mol |
C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O |
TCMBANKIN057960 |
glutathion |
glutathione |
C10H17N3O6S |
307.33 g/mol |
C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N |
TCMBANKIN057992 |
betaine |
Betaine; Aristolochic acid; EINECS 258-258-7; Betaine aspartate; carboxy-n,n,n-trimethylmethanaminium(3s)-3-amino-3-carboxypropanoate; TRIMETHYL GLYCINE (+)-ASPARTATE; AC1L2WMU; D07524; betaine hydrochloride; Somathl (TN); glycine betaine; (2S)-2-amino-4-hydroxy-4-oxobutanoate; carboxymethyl(trimethyl)azanium; aristolochic acid A; AC1Q5T26 |
C5H11NO2 |
117.15 g/mol |
C[N+](C)(C)CC(=O)[O-] |
TCMBANKIN058453 |
inosine |
962ABA7D-F602-497D-AD86-94526094D87E; EINECS 200-390-4; I4125_SIGMA; Panholic-L; Inosina [INN-Spanish]; AIDS-008385; Hypoxanthine ribonucleoside; Hypoxanthosine; CHEBI:17596; KBioGR_002560; 12712-98-0; KBio2_007696; BB_NC-0564; Atorel; 1,9-Dihydro-9-beta-D-ribofuranosyl-6H-purin-6-one; 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3H-purin-6-one; beta-Inosine; Hypoxanthine 9-beta-D-ribofuranoside; Ribonosine; MLS000028518; ST5308705; Inosine (8CI,9CI); 6H-Purin-6-one, 1,9-dihydro-9-beta-D-ribofuranosyl-; Trophicardyl; SMP1_000165; InChI=1/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s; Inotin; 132953-54-9; KBioSS_002569; ZINC05127790; AI3-52241; 9-beta-D-ribofuranosyl-9H-purin-6-ol; Inosine (JAN/INN); Hypoxanthine riboside; Oxiamin; Hypoxanthine D-riboside; Inosinum [INN-Latin]; HXR; INO 495; KBio2_005128; 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one; KBio3_003038; 28861-88-3; 9-beta-D-Ribofuranosylhypoxanthine; Inosin; Inotin (TN); C00294; beta-D-Ribofuranoside, hypoxanthine-9; (-)-Inosine; ZINC02169852; SMR000058316; KBio2_002560; 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one; cMAP_000084; D00054; Hypoxanthine nucleoside; AIDS008385; 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one; Pantholic-L; Inosine [INN:JAN]; Selfer; 4181-51-5; NSC 20262; Hypoxanthine, 9-beta-D-ribofuranosyl-; (−)-Inosine; hypoxanthinenucleoside; NOS |
C10H12N4O5 |
268.23g/mol |
C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)CO)O)O |
TCMBANKIN058531 |
betalamic acid |
betalanic acid;βetalamicacid;Betalamic acid; C08538; (2S,4E)-4-(2-oxoethylidene)-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid; CHEMBL2062984; 2,6-Pyridinedicarboxylic acid, 1,2,3,4-tetrahydro-4-(oxoethylidene)-, (S-(E))-; CHEBI:27483; SCHEMBL2186623; AC1NQY5X; 18766-66-0; (S-(E))-1,2,3,4-tetrahydro-4-(oxoethylidene)-2,6-pyridinedicarboxylic acid; (2S,4E)-4-(2-oxoethylidene)-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid |
C9H9NO5 |
211.17 g/mol |
C1C(NC(=CC1=CC=O)C(=O)O)C(=O)O |
TCMBANKIN058640 |
2-azetidinecarboxylic acid |
VA80038; AKOS004910733; (2S)-(-)-Azetidine-2-carboxylic acid; CHEMBL33592; Azetidinecarboxylic acid; AK-27256; BB 0262160; FT-0634338; NSC72471; CHEBI:38108; BDBM50000108; A-2380; azetidine-2-carboxylic acid, AldrichCPR; ST1010054; azetidin-1-ium-2-carboxylate; Z1318268680; HT782; J-012991; A814215; FT-0600768; EN002094; DL-2-Azetidinecarboxylic acid; EN300-24071; EINECS 219-740-2; MFCD00066660; CTK1A3520; ACT01822; AC-5888; 4CH-013358; Q848; (RS)-AZETIDINE-2-CARBOXYLIC ACID; 20063-89-2; MCULE-1336085891; 517A046; DL-Azetidine-2-carboxylic acid; SC-53260; 4CH-011944; KB-50282; DL-AzeOH; TL80090703; CA-1879; 2-AZETIDINECARBOXYLIC ACID; (R)-azetidine-2-carboxylicacid; 2-Azetidinecarboxylicacid; DB-008923; ACMC-209yxx; AC-23581; (+)-2-AZETIDINECARBOXYLIC ACID; TL8001772; X2014; KS-00000KFF; K-0016; NSC-72471; azetidine-2-carboxylicacid; AZETIDINE-2-CARBOXYLICACID (L-); 7729-30-8 Azetidine-2-carboxylic acid; AC1NRUXC; Azetidine-2-carboxylic acid; AC-23205; azetidine-2-carboxylate; RP00426; S14-2650; (+/-)-2-AZETIDINECARBOXYLIC ACID; IADUEWIQBXOCDZ-UHFFFAOYSA-N; (RS)-2-AZIRIDINECARBOXYLIC ACID; F8887-4126; KB-47479; A9783; TX-012237; MolPort-002-471-062; SY013679; (+-)-2-Azetidinecarboxylic acid; AN-10538; AC1L29PE; AM20090145; I04-1348; ALBB-023626; QC-9589; D,L-AzeOH; I04-0055; GS-4253; BR-27256; CS-M0178; SCHEMBL122166; AC1Q74O1; DL-H-AZE-OH; 2-Azetidinecarboxylic acid, (S)- (9CI); 2517/4/6; DB-067333; 1-Azetidinecarboxylicacid, 2-(aminocarbonyl)-, 1,1-dimethylethyl ester, (2S)-; J-519619; D,L-Azetidine-2-carboxylic Acid; PB12060; AB0002316; ANW-50569;azetidine-2-carboxylic acid |
C4H7NO2 |
101.1 |
C1CNC1C(=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 |
TCMBANKIN059619 |
calendula officinalis glycoside f |
|
C36H56O9 |
632.82 |
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)O)C)C)C2C1)C)C(=O)O)C |
TCMBANKIN060045 |
Skatol |
|
C9H9N |
131.17 |
CC1=CNC2=CC=CC=C12 |
TCMBANKIN061867 |
betagarin |
βetagarin |
C18H16O6 |
328.3 g/mol |
COC1=CC=CC=C1C2CC(=O)C3=C(C4=C(C=C3O2)OCO4)OC |