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CHEBI:187290 - Quercetin 3-(2'',3'',4''-triacetylgalactoside)

Default Structure
ChEBI IDCHEBI:187290
ChEBI NameQuercetin 3-(2'',3'',4''-triacetylgalactoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H26O15
Net Charge0
Average Mass590.490
Monoisotopic Mass590.12717
SMILESCC(=O)OC1C(OC(C)=O)[C@@H](OC(C)=O)C(CO)O[C@H]1Oc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O
InChIInChI=1S/C27H26O15/c1-10(29)37-23-19(9-28)41-27(26(39-12(3)31)25(23)38-11(2)30)42-24-21(36)20-17(35)7-14(32)8-18(20)40-22(24)13-4-5-15(33)16(34)6-13/h4-8,19,23,25-28,32-35H,9H2,1-3H3/t19?,23-,25?,26?,27-/m0/s1
InChIKeyAXCXJIKUZOEPMX-IAVYKGGUSA-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 3-(2'',3'',4''-triacetylgalactoside) (CHEBI:187290) is a flavonoids (CHEBI:72544)
Quercetin 3-(2'',3'',4''-triacetylgalactoside) (CHEBI:187290) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3S,6S)-4,5-diacetyloxy-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-2-(hydroxymethyl)oxan-3-yl] acetate
Manual XrefsDatabases
24844802ChemSpider
LMPK12112075LIPID MAPS