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CHEBI:230249 - Soyasaponin gamma-A

ChEBI IDCHEBI:230249
ChEBI NameSoyasaponin gamma-A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H72O16
Net Charge0
Average Mass893.077
Monoisotopic Mass892.48204
SMILESCC1=C(O)C(=O)CC(OC2CC(C)(C)CC3C4=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(O)C7OC7OCC(O)C(O)C7O)C(C)(CO)C6CCC5(C)C4(C)CCC23C)O1
InChIInChI=1S/C47H72O16/c1-22-32(51)25(49)17-31(59-22)60-30-19-42(2,3)18-24-23-9-10-28-44(5)13-12-29(45(6,21-48)27(44)11-14-47(28,8)46(23,7)16-15-43(24,30)4)61-41-38(35(54)34(53)37(62-41)39(56)57)63-40-36(55)33(52)26(50)20-58-40/h9,24,26-31,33-38,40-41,48,50-55H,10-21H2,1-8H3,(H,56,57)
InChIKeyBJSYIEDSMIGNCZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
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)
Soyasaponin gamma-A (CHEBI:230249) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name 
3,4-dihydroxy-6-[[4-(hydroxymethyl)-9-[(5-hydroxy-6-methyl-4-oxo-2,3-dihydropyran-2-yl)oxy]-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0302656HMDB