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CHEBI:168136 - Quercetin 3-(6''-malonylgalactoside)

ChEBI IDCHEBI:168136
ChEBI NameQuercetin 3-(6''-malonylgalactoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H22O15
Net Charge0
Average Mass550.425
Monoisotopic Mass550.09587
SMILESO=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)[C@H]1O
InChIInChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18+,20?,21?,24+/m1/s1
InChIKeyNBQPHANHNTWDML-ZNIFOQHPSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Quercetin 3-(6''-malonylgalactoside) (CHEBI:168136) is a flavonoids (CHEBI:72544)
Quercetin 3-(6''-malonylgalactoside) (CHEBI:168136) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[[(2R,3R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
Manual XrefsDatabases
LMPK12112068LIPID MAPS
24844795ChemSpider