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CHEBI:190316 - Medicagenic acid 3-O-b-D-glucuronide

ChEBI IDCHEBI:190316
ChEBI NameMedicagenic acid 3-O-b-D-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H54O12
Net Charge0
Average Mass678.816
Monoisotopic Mass678.36153
SMILESCC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C(=O)O)C5CCC43C)C2C1
InChIInChI=1S/C36H54O12/c1-31(2)11-13-36(30(45)46)14-12-33(4)17(18(36)15-31)7-8-20-32(3)16-19(37)26(35(6,29(43)44)21(32)9-10-34(20,33)5)48-28-24(40)22(38)23(39)25(47-28)27(41)42/h7,18-26,28,37-40H,8-16H2,1-6H3,(H,41,42)(H,43,44)(H,45,46)
InChIKeyQOOMNXCRAXXTJZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) intestinal content (NCIT:C189653) MetaboLights (MTBLS4101) Strain: C57BL/6J  [EFO:0000606]
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)
Medicagenic acid 3-O-b-D-glucuronide (CHEBI:190316) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name 
3-(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
Manual XrefsDatabases
HMDB0034693HMDB