EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:186257 - Quercetin 5,7,3',4'-tetramethyl ether 3-galactoside

ChEBI IDCHEBI:186257
ChEBI NameQuercetin 5,7,3',4'-tetramethyl ether 3-galactoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O12
Net Charge0
Average Mass520.487
Monoisotopic Mass520.15808
SMILESCOc1cc(OC)c2c(=O)c(O[C@@H]3OC(CO)[C@H](O)[C@H](O)C3O)c(-c3ccc(OC)c(OC)c3)oc2c1
InChIInChI=1S/C25H28O12/c1-31-12-8-15(34-4)18-16(9-12)35-23(11-5-6-13(32-2)14(7-11)33-3)24(20(18)28)37-25-22(30)21(29)19(27)17(10-26)36-25/h5-9,17,19,21-22,25-27,29-30H,10H2,1-4H3/t17?,19-,21-,22?,25-/m0/s1
InChIKeyLVEDADKAOUAIMA-HUCFDGENSA-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 5,7,3',4'-tetramethyl ether 3-galactoside (CHEBI:186257) is a flavonoids (CHEBI:72544)
Quercetin 5,7,3',4'-tetramethyl ether 3-galactoside (CHEBI:186257) is a glycoside (CHEBI:24400)
IUPAC Name 
2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
LMPK12112765LIPID MAPS
24845400ChemSpider