EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:173305 - Quercetin 3-xylosyl-(1->6)-glucoside

ChEBI IDCHEBI:173305
ChEBI NameQuercetin 3-xylosyl-(1->6)-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H28O16
Net Charge0
Average Mass596.494
Monoisotopic Mass596.13773
SMILESO=c1c(O[C@@H]2OC(CO[C@@H]3OC[C@@H](O)[C@H](O)C3O)[C@@H](O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
InChIInChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2/t13-,15?,17+,18-,20?,21?,22?,25+,26+/m1/s1
InChIKeyYNMFDPCLPIMRFD-RFHXMHBRSA-N
ChEBI Ontology
Outgoing Relation(s)
Quercetin 3-xylosyl-(1->6)-glucoside (CHEBI:173305) is a flavonoids (CHEBI:72544)
Quercetin 3-xylosyl-(1->6)-glucoside (CHEBI:173305) is a glycoside (CHEBI:24400)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,5S)-3,4,5-trihydroxy-6-[[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
LMPK12112091LIPID MAPS
24844818ChemSpider