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CHEBI:176298 - Lupeoside

ChEBI IDCHEBI:176298
ChEBI NameLupeoside
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SubmitterMetaboLights
DownloadsMolfile
FormulaC41H68O10
Net Charge0
Average Mass720.985
Monoisotopic Mass720.48125
SMILESC=C(C)C1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(OC6OC(CO)C(OC7OCC(O)C(O)C7O)C(O)C6O)C(C)(C)C5CCC43C)C12
InChIInChI=1S/C41H68O10/c1-21(2)22-11-14-38(5)17-18-40(7)23(29(22)38)9-10-27-39(6)15-13-28(37(3,4)26(39)12-16-41(27,40)8)50-36-33(47)31(45)34(25(19-42)49-36)51-35-32(46)30(44)24(43)20-48-35/h22-36,42-47H,1,9-20H2,2-8H3
InChIKeyVTDZILAWJJXPEL-UHFFFAOYSA-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)
Lupeoside (CHEBI:176298) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name 
2-[6-[(3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
Manual XrefsDatabases
HMDB0039242HMDB