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
Epigallocatechin gallate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
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 |
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 |
Splash | |
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 |
KEGG | C09731 |
ChEMBL | CHEMBL297453 |
ChEBI | CHEBI:4806 |
HMDb | HMDB03153 |
ChemSpider | 58575 |
ChemIDPlus | 000989515 |
Wikipedia | Epigallocatechin gallate |
PubChem | 65064 |