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CHEBI:187064 - 7-O-Methylisolupalbigenin

ChEBI IDCHEBI:187064
ChEBI Name7-O-Methylisolupalbigenin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H28O5
Net Charge0
Average Mass420.505
Monoisotopic Mass420.19367
SMILESCOc1cc(O)c2c(=O)c(-c3ccc(O)c(CC=C(C)C)c3)coc2c1CC=C(C)C
InChIInChI=1S/C26H28O5/c1-15(2)6-8-18-12-17(9-11-21(18)27)20-14-31-26-19(10-7-16(3)4)23(30-5)13-22(28)24(26)25(20)29/h6-7,9,11-14,27-28H,8,10H2,1-5H3
InChIKeyXOEJOZMFBLQRCB-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)
7-O-Methylisolupalbigenin (CHEBI:187064) is a methoxyisoflavone (CHEBI:38756)
IUPAC Name 
5-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-7-methoxy-8-(3-methylbut-2-enyl)chromen-4-one
Manual XrefsDatabases
9135996ChemSpider
LMPK12050200LIPID MAPS