CHEBI:174914 - 4'-O-Methylcatechin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4'-O-Methylcatechin
ChEBI ID CHEBI:174914
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H16O6
Net Charge 0
Average Mass 304.298
Monoisotopic Mass 304.09469
InChI InChI=1S/C16H16O6/c1-21-14-3-2-8(4-12(14)19)16-13(20)7-10-11(18)5-9(17)6-15(10)22-16/h2-6,13,16-20H,7H2,1H3/t13-,16+/m0/s1
InChIKey ZHDMPVIDHWJGTN-XJKSGUPXSA-N
SMILES O1[C@@H]([C@@H](O)CC=2C1=CC(O)=CC2O)C3=CC(O)=C(OC)C=C3
ChEBI Ontology
Outgoing 4'-O-Methylcatechin (CHEBI:174914) is a catechin (CHEBI:23053)
IUPAC Name
(2R,3S)-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Manual Xrefs Databases
8170765 ChemSpider
LMPK12020113 LIPID MAPS
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