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CHEBI:192964 - Quercetin 3-(2''-galloylgalactoside)

ChEBI IDCHEBI:192964
ChEBI NameQuercetin 3-(2''-galloylgalactoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H24O16
Net Charge0
Average Mass616.484
Monoisotopic Mass616.10643
SMILESO=C(O[C@@H]1C(O)[C@@H](O)C(CO)O[C@H]1Oc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C28H24O16/c29-8-18-21(37)23(39)26(43-27(40)10-4-15(34)20(36)16(35)5-10)28(42-18)44-25-22(38)19-14(33)6-11(30)7-17(19)41-24(25)9-1-2-12(31)13(32)3-9/h1-7,18,21,23,26,28-37,39H,8H2/t18?,21-,23?,26+,28-/m0/s1
InChIKeyPXGWEUQZDRUMRE-RFMYBEOGSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS3183) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
Quercetin 3-(2''-galloylgalactoside) (CHEBI:192964) is a flavonoids (CHEBI:72544)
Quercetin 3-(2''-galloylgalactoside) (CHEBI:192964) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2S,3R,5R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate
Manual XrefsDatabases
24844798ChemSpider
LMPK12112071LIPID MAPS