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CHEBI:187162 - Canarigenin 3-[glucosyl-(1->4)-6-deoxy-alloside]

ChEBI IDCHEBI:187162
ChEBI NameCanarigenin 3-[glucosyl-(1->4)-6-deoxy-alloside]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H52O13
Net Charge0
Average Mass680.788
Monoisotopic Mass680.34079
SMILESCC1OC(OC2C=C3CCC4C(CCC5(C)C(C6=CC(=O)OC6)CCC45O)C3(C)CC2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C35H52O13/c1-16-30(48-32-28(41)26(39)25(38)23(14-36)47-32)27(40)29(42)31(45-16)46-19-6-9-33(2)18(13-19)4-5-22-21(33)7-10-34(3)20(8-11-35(22,34)43)17-12-24(37)44-15-17/h12-13,16,19-23,25-32,36,38-43H,4-11,14-15H2,1-3H3
InChIKeyDVTQQKKQADHWDM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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)
Canarigenin 3-[glucosyl-(1->4)-6-deoxy-alloside] (CHEBI:187162) is a steroid saponin (CHEBI:61655)
IUPAC Name 
3-[3-[3,4-dihydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-uran-5-one
Manual XrefsDatabases
HMDB0035433HMDB