EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:187031 - 5,7,4',5'-Tetrahydroxy-3,2'-dimethoxyflavone

ChEBI IDCHEBI:187031
ChEBI Name5,7,4',5'-Tetrahydroxy-3,2'-dimethoxyflavone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H14O8
Net Charge0
Average Mass346.291
Monoisotopic Mass346.06887
SMILESCOc1cc(O)c(O)cc1-c1oc2cc(O)cc(O)c2c(=O)c1OC
InChIInChI=1S/C17H14O8/c1-23-12-6-10(20)9(19)5-8(12)16-17(24-2)15(22)14-11(21)3-7(18)4-13(14)25-16/h3-6,18-21H,1-2H3
InChIKeyMYTOPZXHMOAXSZ-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)
5,7,4',5'-Tetrahydroxy-3,2'-dimethoxyflavone (CHEBI:187031) is a ether (CHEBI:25698)
5,7,4',5'-Tetrahydroxy-3,2'-dimethoxyflavone (CHEBI:187031) is a flavonoids (CHEBI:72544)
IUPAC Name 
2-(4,5-dihydroxy-2-methoxyphenyl)-5,7-dihydroxy-3-methoxychromen-4-one
Manual XrefsDatabases
24845203ChemSpider
LMPK12112523LIPID MAPS