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CHEBI:176262 - 28-Glucopyranosyl-3-methyloleanolic acid

ChEBI IDCHEBI:176262
ChEBI Name28-Glucopyranosyl-3-methyloleanolic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H60O8
Net Charge0
Average Mass632.879
Monoisotopic Mass632.42882
SMILESCOC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C(=O)OC4OC(CO)C(O)C(O)C4O)CCC23C)C1(C)C
InChIInChI=1S/C37H60O8/c1-32(2)15-17-37(31(42)45-30-29(41)28(40)27(39)23(20-38)44-30)18-16-35(6)21(22(37)19-32)9-10-25-34(5)13-12-26(43-8)33(3,4)24(34)11-14-36(25,35)7/h9,22-30,38-41H,10-20H2,1-8H3
InChIKeyRMYQUHMJDCWPQR-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
28-Glucopyranosyl-3-methyloleanolic acid (CHEBI:176262) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name 
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 10-methoxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Manual XrefsDatabases
HMDB0036966HMDB