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CHEBI:190096 - Quercetin 3-(2''-galloylrhamnoside)

ChEBI IDCHEBI:190096
ChEBI NameQuercetin 3-(2''-galloylrhamnoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H24O15
Net Charge0
Average Mass600.485
Monoisotopic Mass600.11152
SMILESCC1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)C(O)[C@H]1O
InChIInChI=1S/C28H24O15/c1-9-20(35)23(38)26(42-27(39)11-5-16(33)21(36)17(34)6-11)28(40-9)43-25-22(37)19-15(32)7-12(29)8-18(19)41-24(25)10-2-3-13(30)14(31)4-10/h2-9,20,23,26,28-36,38H,1H3/t9?,20-,23?,26-,28-/m0/s1
InChIKeyKTTNFIOZYNBKEY-OPGIVTQFSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
Quercetin 3-(2''-galloylrhamnoside) (CHEBI:190096) is a flavonoids (CHEBI:72544)
Quercetin 3-(2''-galloylrhamnoside) (CHEBI:190096) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2S,3S,5R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] 3,4,5-trihydroxybenzoate
Manual XrefsDatabases
LMPK12112215LIPID MAPS
24844935ChemSpider