EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:193451 - 5-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methoxy-8-methyl-4H-chromen-4-one

ChEBI IDCHEBI:193451
ChEBI Name5-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methoxy-8-methyl-4H-chromen-4-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H16O6
Net Charge0
Average Mass328.320
Monoisotopic Mass328.09469
SMILESCOc1cc(-c2coc3c(C)c(OC)cc(O)c3c2=O)ccc1O
InChIInChI=1S/C18H16O6/c1-9-14(22-2)7-13(20)16-17(21)11(8-24-18(9)16)10-4-5-12(19)15(6-10)23-3/h4-8,19-20H,1-3H3
InChIKeyLFABZSAUYVWSLG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
5-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methoxy-8-methyl-4H-chromen-4-one (CHEBI:193451) is a methoxyisoflavone (CHEBI:38756)
IUPAC Name 
5-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methoxy-8-methylchromen-4-one
Manual XrefsDatabases
74852607ChemSpider