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CHEBI:168455 - 4',7-Di-O-methylcatechin

ChEBI IDCHEBI:168455
ChEBI Name4',7-Di-O-methylcatechin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H18O6
Net Charge0
Average Mass318.325
Monoisotopic Mass318.11034
SMILESCOc1cc(O)c2c(c1)OC(c1ccc(OC)c(O)c1)C(O)C2
InChIInChI=1S/C17H18O6/c1-21-10-6-12(18)11-8-14(20)17(23-16(11)7-10)9-3-4-15(22-2)13(19)5-9/h3-7,14,17-20H,8H2,1-2H3
InChIKeyMWTVZZZJXLZCEN-UHFFFAOYSA-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)
4',7-Di-O-methylcatechin (CHEBI:168455) is a catechin (CHEBI:23053)
IUPAC Name 
2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromene-3,5-diol
Manual XrefsDatabases
HMDB0030663HMDB
35013251ChemSpider