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CHEBI:62442 - soyasapogenol A 3-O-β-glucuronide

ChEBI IDCHEBI:62442
ChEBI Namesoyasapogenol A 3-O-β-glucuronide
Stars
ASCII Namesoyasapogenol A 3-O-beta-glucuronide
DefinitionA triterpenoid saponin that is the 3-O-β-glucuronide of soyasapogenol A.
Last Modified12 April 2013
SubmitterGareth Owen
DownloadsMolfile
FormulaC36H58O10
Net Charge0
Average Mass650.850
Monoisotopic Mass650.40300
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)[C@@H](O)[C@@H](O)[C@]4(C)CC[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)CC[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@]1(C)CO
InChIInChI=1S/C36H58O10/c1-31(2)16-19-18-8-9-21-33(4)12-11-22(45-30-25(40)23(38)24(39)26(46-30)29(43)44)34(5,17-37)20(33)10-13-36(21,7)35(18,6)15-14-32(19,3)28(42)27(31)41/h8,19-28,30,37-42H,9-17H2,1-7H3,(H,43,44)/t19-,20+,21+,22-,23-,24-,25+,26-,27-,28+,30+,32+,33-,34+,35+,36+/m0/s1
InChIKeyCZJIMKNMPZTDKL-KYCUXGCASA-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)
soyasapogenol A 3-O-β-glucuronide (CHEBI:62442) has functional parent soyasapogenol A (CHEBI:62440)
soyasapogenol A 3-O-β-glucuronide (CHEBI:62442) is a triterpenoid saponin (CHEBI:61778)
soyasapogenol A 3-O-β-glucuronide (CHEBI:62442) is a β-D-glucosiduronic acid (CHEBI:15341)
soyasapogenol A 3-O-β-glucuronide (CHEBI:62442) is conjugate acid of soyasapogenol A 3-O-β-glucuronate (CHEBI:62443)
Incoming Relation(s)
soyasapogenol A 3-O-β-glucuronate (CHEBI:62443) is conjugate base of soyasapogenol A 3-O-β-glucuronide (CHEBI:62442)
IUPAC Name 
(3β,21β,22β)-21,22,24-trihydroxyolean-12-en-3-yl β-D-glucopyranosiduronic acid
Synonyms  Source
soyasapogenol A monoglucuronideChEBI
soyasapogenol A-3-O-glucuronideChEBI
soyasapogenol A-3-O-β-glucuronideChEBI
Citations