CHEBI:191574 - 4'-Methyl-(-)-epigallocatechin 3-(4-methyl-gallate)

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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'-Methyl-(-)-epigallocatechin 3-(4-methyl-gallate)
ChEBI ID CHEBI:191574
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H22O11
Net Charge 0
Average Mass 486.429
Monoisotopic Mass 486.11621
InChI InChI=1S/C24H22O11/c1-32-22-15(27)3-10(4-16(22)28)21-20(9-13-14(26)7-12(25)8-19(13)34-21)35-24(31)11-5-17(29)23(33-2)18(30)6-11/h3-8,20-21,25-30H,9H2,1-2H3/t20-,21-/m1/s1
InChIKey HFWSXNDMKGHKRD-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(OC)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 4'-Methyl-(-)-epigallocatechin 3-(4-methyl-gallate) (CHEBI:191574) is a catechin (CHEBI:23053)
IUPAC Name
[(2R,3R)-2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,5-dihydroxy-4-methoxybenzoate
Manual Xrefs Databases
28477210 ChemSpider
HMDB0041668 HMDB
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Registry Number Type Source
298700-58-0 CAS Registry Number ChemIDplus