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CHEBI:62439 - soyasapogenol B 3-O-β-glucuronide

ChEBI IDCHEBI:62439
ChEBI Namesoyasapogenol B 3-O-β-glucuronide
Stars
ASCII Namesoyasapogenol B 3-O-beta-glucuronide
DefinitionA triterpenoid saponin that is the 3-O-β-glucuronide of soyasapogenol B.
Last Modified12 April 2013
SubmitterGareth Owen
DownloadsMolfile
FormulaC36H58O9
Net Charge0
Average Mass634.851
Monoisotopic Mass634.40808
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)C[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/C36H58O9/c1-31(2)16-20-19-8-9-22-33(4)12-11-24(44-30-27(41)25(39)26(40)28(45-30)29(42)43)34(5,18-37)21(33)10-13-36(22,7)35(19,6)15-14-32(20,3)23(38)17-31/h8,20-28,30,37-41H,9-18H2,1-7H3,(H,42,43)/t20-,21+,22+,23+,24-,25-,26-,27+,28-,30+,32+,33-,34+,35+,36+/m0/s1
InChIKeyNARQRJFIZNOSJV-JIHAXZPOSA-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 B 3-O-β-glucuronide (CHEBI:62439) has functional parent soyasapogenol B (CHEBI:9209)
soyasapogenol B 3-O-β-glucuronide (CHEBI:62439) is a triterpenoid saponin (CHEBI:61778)
soyasapogenol B 3-O-β-glucuronide (CHEBI:62439) is a β-D-glucosiduronic acid (CHEBI:15341)
soyasapogenol B 3-O-β-glucuronide (CHEBI:62439) is conjugate acid of soyasapogenol B 3-O-β-glucuronate (CHEBI:62441)
Incoming Relation(s)
soyasapogenol B 3-O-β-glucuronate (CHEBI:62441) is conjugate base of soyasapogenol B 3-O-β-glucuronide (CHEBI:62439)
Synonyms  Source
soyasapogenol B monoglucuronideChEBI
soyasapogenol B-3-O-β-glucuronideChEBI
soyasapogenol B-3-O-glucuronideChEBI
Manual XrefsDatabases
CPD-7612MetaCyc
Registry NumbersSources
Reaxys:8025979Reaxys
Citations