EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:192455 - Quercetin 3,3'-dimethyl ether 4'-glucoside

ChEBI IDCHEBI:192455
ChEBI NameQuercetin 3,3'-dimethyl ether 4'-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H24O12
Net Charge0
Average Mass492.433
Monoisotopic Mass492.12678
SMILESCOc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)ccc1O[C@@H]1OC(CO)[C@@H](O)C(O)C1O
InChIInChI=1S/C23H24O12/c1-31-13-5-9(3-4-12(13)34-23-20(30)19(29)17(27)15(8-24)35-23)21-22(32-2)18(28)16-11(26)6-10(25)7-14(16)33-21/h3-7,15,17,19-20,23-27,29-30H,8H2,1-2H3/t15?,17-,19?,20?,23-/m1/s1
InChIKeyWUNUUGOHRCMFOC-LCSWUFRPSA-N
Species of MetaboliteComponentSourceComments
Pinus radiata (ncbitaxon:3347) leaf (BTO:0000713) MetaboLights (MTBLS4567)
ChEBI Ontology
Outgoing Relation(s)
Quercetin 3,3'-dimethyl ether 4'-glucoside (CHEBI:192455) is a flavonoids (CHEBI:72544)
Quercetin 3,3'-dimethyl ether 4'-glucoside (CHEBI:192455) is a glycoside (CHEBI:24400)
IUPAC Name 
5,7-dihydroxy-3-methoxy-2-[3-methoxy-4-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
Manual XrefsDatabases
LMPK12112735LIPID MAPS