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CHEBI:185611 - Lupinisoflavone M

ChEBI IDCHEBI:185611
ChEBI NameLupinisoflavone M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O8
Net Charge0
Average Mass456.491
Monoisotopic Mass456.17842
SMILESCC(C)(O)C(O)Cc1c(O)cc2occ(-c3ccc4c(c3)CC(C(C)(C)O)O4)c(=O)c2c1O
InChIInChI=1S/C25H28O8/c1-24(2,30)19(27)9-14-16(26)10-18-21(22(14)28)23(29)15(11-32-18)12-5-6-17-13(7-12)8-20(33-17)25(3,4)31/h5-7,10-11,19-20,26-28,30-31H,8-9H2,1-4H3
InChIKeyIXEGNYHOJYAEHW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Lupinisoflavone M (CHEBI:185611) is a isoflavanones (CHEBI:38741)
IUPAC Name 
6-(2,3-dihydroxy-3-methylbutyl)-5,7-dihydroxy-3-[2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzouran-5-yl]chromen-4-one
Manual XrefsDatabases
LMPK12050183LIPID MAPS
24842766ChemSpider