EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:187087 - 6-C-Methylquercetin 3,3'-dimethyl ether

ChEBI IDCHEBI:187087
ChEBI Name6-C-Methylquercetin 3,3'-dimethyl ether
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H16O7
Net Charge0
Average Mass344.319
Monoisotopic Mass344.08960
SMILESCOc1cc(-c2oc3cc(O)c(C)c(O)c3c(=O)c2OC)ccc1O
InChIInChI=1S/C18H16O7/c1-8-11(20)7-13-14(15(8)21)16(22)18(24-3)17(25-13)9-4-5-10(19)12(6-9)23-2/h4-7,19-21H,1-3H3
InChIKeyYYXIVLBFQSWHBO-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)
6-C-Methylquercetin 3,3'-dimethyl ether (CHEBI:187087) is a ether (CHEBI:25698)
6-C-Methylquercetin 3,3'-dimethyl ether (CHEBI:187087) is a flavonoids (CHEBI:72544)
IUPAC Name 
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6-methylchromen-4-one
Manual XrefsDatabases
24845389ChemSpider
LMPK12112747LIPID MAPS