EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:184665 - Quercetin 3,4'-dimethyl ether 7-glucoside

ChEBI IDCHEBI:184665
ChEBI NameQuercetin 3,4'-dimethyl ether 7-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H24O12
Net Charge0
Average Mass492.433
Monoisotopic Mass492.12678
SMILESCOc1ccc(-c2oc3cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)c3c(=O)c2OC)cc1O
InChIInChI=1S/C23H24O12/c1-31-13-4-3-9(5-11(13)25)21-22(32-2)18(28)16-12(26)6-10(7-14(16)34-21)33-23-20(30)19(29)17(27)15(8-24)35-23/h3-7,15,17,19-20,23-27,29-30H,8H2,1-2H3/t15?,17-,19+,20?,23-/m1/s1
InChIKeyDBZKCUWFRLLAMD-FVVDVGEISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Quercetin 3,4'-dimethyl ether 7-glucoside (CHEBI:184665) is a flavonoids (CHEBI:72544)
Quercetin 3,4'-dimethyl ether 7-glucoside (CHEBI:184665) is a glycoside (CHEBI:24400)
IUPAC Name 
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
LMPK12112757LIPID MAPS
24845395ChemSpider