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CHEBI:191054 - Medicagenic acid base -h2o + o-hexa

ChEBI IDCHEBI:191054
ChEBI NameMedicagenic acid base -h2o + o-hexa
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H54O11
Net Charge0
Average Mass662.817
Monoisotopic Mass662.36661
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)C5CCC43C)C2C1
InChIInChI=1S/C36H54O11/c1-31(2)11-13-36(30(44)45)14-12-34(5)18(19(36)15-31)7-8-22-32(3)16-20(38)27(33(4,17-37)21(32)9-10-35(22,34)6)47-29-25(41)23(39)24(40)26(46-29)28(42)43/h7,17,19-27,29,38-41H,8-16H2,1-6H3,(H,42,43)(H,44,45)
InChIKeyWFAOGVATCATFDU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
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 base -h2o + o-hexa (CHEBI:191054) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name 
6-[(8a-carboxy-4-ormyl-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid