CHEBI:191609 - Epigallocatechin 3-O-(4-hydroxybenzoate)

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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 Epigallocatechin 3-O-(4-hydroxybenzoate)
ChEBI ID CHEBI:191609
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C22H18O9
Net Charge 0
Average Mass 426.377
Monoisotopic Mass 426.09508
InChI InChI=1S/C22H18O9/c23-12-3-1-10(2-4-12)22(29)31-19-9-14-15(25)7-13(24)8-18(14)30-21(19)11-5-16(26)20(28)17(27)6-11/h1-8,19,21,23-28H,9H2/t19-,21-/m1/s1
InChIKey KRGDXHCBNLBSJP-TZIWHRDSSA-N
SMILES O1[C@@H]([C@H](OC(=O)C2=CC=C(O)C=C2)CC=3C1=CC(O)=CC3O)C4=CC(O)=C(O)C(O)=C4
Metabolite of Species Details
Ulmus parvifolia (NCBI:txid63058) Found in bark (BTO:0001301). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058) Found in seed (BTO:0001226). See: MetaboLights Study
ChEBI Ontology
Outgoing Epigallocatechin 3-O-(4-hydroxybenzoate) (CHEBI:191609) is a catechin (CHEBI:23053)
IUPAC Name
[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 4-hydroxybenzoate
Manual Xrefs Databases
23297166 ChemSpider
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