CHEBI:176148 - Epicatechin 3-O-(4-methylgallate)

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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 Epicatechin 3-O-(4-methylgallate)
ChEBI ID CHEBI:176148
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H20O10
Net Charge 0
Average Mass 456.403
Monoisotopic Mass 456.10565
InChI InChI=1S/C23H20O10/c1-31-22-17(28)5-11(6-18(22)29)23(30)33-20-9-13-15(26)7-12(24)8-19(13)32-21(20)10-2-3-14(25)16(27)4-10/h2-8,20-21,24-29H,9H2,1H3/t20-,21-/m1/s1
InChIKey BXDRTHBTGNNTEW-NHCUHLMSSA-N
SMILES O1[C@@H]([C@H](OC(=O)C2=CC(O)=C(OC)C(O)=C2)CC=3C1=CC(O)=CC3O)C4=CC(O)=C(O)C=C4
ChEBI Ontology
Outgoing Epicatechin 3-O-(4-methylgallate) (CHEBI:176148) is a catechin (CHEBI:23053)
IUPAC Name
[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,5-dihydroxy-4-methoxybenzoate
Manual Xrefs Databases
410662 ChemSpider
HMDB0039328 HMDB
LMPK12020094 LIPID MAPS
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