EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:191810 - Quercetin 3-glucosyl-(1->2)-galactosyl-(1->2)-glucoside

ChEBI IDCHEBI:191810
ChEBI NameQuercetin 3-glucosyl-(1->2)-galactosyl-(1->2)-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H40O22
Net Charge0
Average Mass788.661
Monoisotopic Mass788.20112
SMILESO=c1c(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O[C@@H]2OC(CO)[C@H](O)[C@H](O)C2O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
InChIInChI=1S/C33H40O22/c34-6-15-19(41)23(45)26(48)31(50-15)54-29-24(46)20(42)17(8-36)52-33(29)55-30-25(47)21(43)16(7-35)51-32(30)53-28-22(44)18-13(40)4-10(37)5-14(18)49-27(28)9-1-2-11(38)12(39)3-9/h1-5,15-17,19-21,23-26,29-43,45-48H,6-8H2/t15?,16?,17?,19-,20+,21-,23+,24+,25+,26?,29?,30?,31+,32+,33+/m1/s1
InChIKeyIQBMWEYFKNVACH-YJAOKHJISA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Quercetin 3-glucosyl-(1->2)-galactosyl-(1->2)-glucoside (CHEBI:191810) is a flavonoids (CHEBI:72544)
Quercetin 3-glucosyl-(1->2)-galactosyl-(1->2)-glucoside (CHEBI:191810) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[(2S,4S,5S)-3-[(2S,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Manual XrefsDatabases
24844961ChemSpider
LMPK12112241LIPID MAPS