EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:188254 - Quercetin 3-(3'',4''-diacetylrhamnosyl)-(1->6)-glucoside

ChEBI IDCHEBI:188254
ChEBI NameQuercetin 3-(3'',4''-diacetylrhamnosyl)-(1->6)-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H34O18
Net Charge0
Average Mass694.595
Monoisotopic Mass694.17451
SMILESCC(=O)OC1[C@@H](OC(C)=O)C(C)O[C@@H](OCC2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(O)[C@@H](O)[C@@H]2O)[C@H]1O
InChIInChI=1S/C31H34O18/c1-10-26(45-11(2)32)29(46-12(3)33)25(42)30(44-10)43-9-19-21(38)23(40)24(41)31(48-19)49-28-22(39)20-17(37)7-14(34)8-18(20)47-27(28)13-4-5-15(35)16(36)6-13/h4-8,10,19,21,23-26,29-31,34-38,40-42H,9H2,1-3H3/t10?,19?,21-,23+,24?,25+,26+,29?,30-,31+/m1/s1
InChIKeyOILJXSBGQQNYAQ-KMCGAWEASA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
Quercetin 3-(3'',4''-diacetylrhamnosyl)-(1->6)-glucoside (CHEBI:188254) is a flavonoids (CHEBI:72544)
Quercetin 3-(3'',4''-diacetylrhamnosyl)-(1->6)-glucoside (CHEBI:188254) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3S,5S,6R)-4-acetyloxy-6-[[(3S,4S,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-5-hydroxy-2-methyloxan-3-yl] acetate
Manual XrefsDatabases
24844983ChemSpider
LMPK12112263LIPID MAPS