Epigallocatechin gallate

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Systematic / IUPAC Name: (2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate

ID: Reference1362

Other Names: (-)-Epigallocatechin gallate;
Epigallocate;
Gallic acid, 3-ester with epigallocatechol, (-)-;
Galloyl-L-epigallocatechol;
Tea catechin ; more

Formula: C22H18O11

Class: Endogenous Metabolites

Spectral Data

Epigallocatechin gallate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 2405
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI; NSI
Analyzers IT; FT
Last Modification 10/26/2016 8:10:38 AM
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Identificators

InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
InChI Key WMBWREPUVVBILR-WIYYLYMNSA-N
Canonical SMILES C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
CAS 989515
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Other Names (-)-Epigallocatechin gallate;
Epigallocate;
Gallic acid, 3-ester with epigallocatechol, (-)-;
Galloyl-L-epigallocatechol;
Tea catechin;
Teavigo;
Benzoic acid, 3,4,5-trihydroxy-, (2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester;
EGCG ;
NVP-XAA723

In Other Databases

KEGG C09731
ChEMBL CHEMBL297453
ChEBI CHEBI:4806
HMDb HMDB03153
ChemSpider 58575
ChemIDPlus 000989515
Wikipedia Epigallocatechin gallate
PubChem 65064