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

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ChEBI Name 4',7-Di-O-methylcatechin
ChEBI ID CHEBI:168455
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H18O6
Net Charge 0
Average Mass 318.325
Monoisotopic Mass 318.11034
InChI InChI=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
InChIKey MWTVZZZJXLZCEN-UHFFFAOYSA-N
SMILES O1C(C(O)CC=2C1=CC(OC)=CC2O)C3=CC(O)=C(OC)C=C3
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
35013251 ChemSpider
HMDB0030663 HMDB
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