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CHEBI:190115 - 3',4'-Methylenedioxy epicatechin 5,7-dimethyl ether

ChEBI IDCHEBI:190115
ChEBI Name3',4'-Methylenedioxy epicatechin 5,7-dimethyl ether
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18O6
Net Charge0
Average Mass330.336
Monoisotopic Mass330.11034
SMILESCOc1cc(OC)c2c(c1)O[C@H](c1ccc3c(c1)OCO3)[C@H](O)C2
InChIInChI=1S/C18H18O6/c1-20-11-6-15(21-2)12-8-13(19)18(24-16(12)7-11)10-3-4-14-17(5-10)23-9-22-14/h3-7,13,18-19H,8-9H2,1-2H3/t13-,18-/m1/s1
InChIKeyMMKQEVQTCAAXTI-FZKQIMNGSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
3',4'-Methylenedioxy epicatechin 5,7-dimethyl ether (CHEBI:190115) is a catechin (CHEBI:23053)
IUPAC Name 
(2R,3R)-2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol
Manual XrefsDatabases
LMPK12020145LIPID MAPS
8512188ChemSpider