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CHEBI:176275 - 2a-Hydroxygypsogenin 3-O-b-D-glucoside

ChEBI IDCHEBI:176275
ChEBI Name2a-Hydroxygypsogenin 3-O-b-D-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H56O10
Net Charge0
Average Mass648.834
Monoisotopic Mass648.38735
SMILESCC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC43C)C2C1
InChIInChI=1S/C36H56O10/c1-31(2)11-13-36(30(43)44)14-12-34(5)19(20(36)15-31)7-8-24-32(3)16-21(39)28(33(4,18-38)23(32)9-10-35(24,34)6)46-29-27(42)26(41)25(40)22(17-37)45-29/h7,18,20-29,37,39-42H,8-17H2,1-6H3,(H,43,44)
InChIKeyUMZJDWXXVAQSPZ-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)
2a-Hydroxygypsogenin 3-O-b-D-glucoside (CHEBI:176275) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name 
9-ormyl-11-hydroxy-2,2,6a,6b,9,12a-hexamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Manual XrefsDatabases
HMDB0041132HMDB