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CHEBI:197022 - Luteolin 3'-methyl ether 7-malonylglucoside

ChEBI IDCHEBI:197022
ChEBI NameLuteolin 3'-methyl ether 7-malonylglucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H24O14
Net Charge0
Average Mass548.453
Monoisotopic Mass548.11661
SMILESCOc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4OC(COC(=O)CC(=O)O)[C@@H](O)[C@H](O)C4O)cc3o2)ccc1O
InChIInChI=1S/C25H24O14/c1-35-16-4-10(2-3-12(16)26)15-7-14(28)21-13(27)5-11(6-17(21)38-15)37-25-24(34)23(33)22(32)18(39-25)9-36-20(31)8-19(29)30/h2-7,18,22-27,32-34H,8-9H2,1H3,(H,29,30)/t18?,22-,23+,24?,25-/m1/s1
InChIKeyPLQBKZOSLQNLOX-SBUOIAKESA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
Luteolin 3'-methyl ether 7-malonylglucoside (CHEBI:197022) is a flavonoids (CHEBI:72544)
Luteolin 3'-methyl ether 7-malonylglucoside (CHEBI:197022) is a glycoside (CHEBI:24400)
IUPAC Name 
3-oxo-3-[[(3S,4S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid
Manual XrefsDatabases
24843808ChemSpider
LMPK12110785LIPID MAPS