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CHEBI:180380 - Epigallocatechin 3-O-vanillate

ChEBI IDCHEBI:180380
ChEBI NameEpigallocatechin 3-O-vanillate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H20O10
Net Charge0
Average Mass456.403
Monoisotopic Mass456.10565
SMILESCOc1cc(C(=O)O[C@@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2cc(O)c(O)c(O)c2)ccc1O
InChIInChI=1S/C23H20O10/c1-31-19-6-10(2-3-14(19)25)23(30)33-20-9-13-15(26)7-12(24)8-18(13)32-22(20)11-4-16(27)21(29)17(28)5-11/h2-8,20,22,24-29H,9H2,1H3/t20-,22-/m1/s1
InChIKeyZQUCIEABYDEGHK-IFMALSPDSA-N
Roles Classification
Application:
astringent  A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
ChEBI Ontology
Outgoing Relation(s)
Epigallocatechin 3-O-vanillate (CHEBI:180380) is a tannin (CHEBI:26848)
IUPAC Name 
[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 4-hydroxy-3-methoxybenzoate
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LMPK12020132LIPID MAPS
24842573ChemSpider