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CHEBI:187637 - Lupinisolone C

ChEBI IDCHEBI:187637
ChEBI NameLupinisolone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H26O7
Net Charge0
Average Mass438.476
Monoisotopic Mass438.16785
SMILESCC(C)=CCc1c(O)cc2occ(-c3ccc(O)c4c3OC(C)(C)C(O)C4)c(=O)c2c1O
InChIInChI=1S/C25H26O7/c1-12(2)5-6-14-18(27)10-19-21(22(14)29)23(30)16(11-31-19)13-7-8-17(26)15-9-20(28)25(3,4)32-24(13)15/h5,7-8,10-11,20,26-29H,6,9H2,1-4H3
InChIKeyMSUIWRTZOBLKNX-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)
Lupinisolone C (CHEBI:187637) is a isoflavanones (CHEBI:38741)
IUPAC Name 
3-(3,5-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromen-4-one
Manual XrefsDatabases
LMPK12050321LIPID MAPS
24842831ChemSpider