Epicatechin

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Systematic / IUPAC Name: (2R,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

ID: Reference23

Other Names: L-Epicatechin;
2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R,3R)-;
(-)Epicatechin;
(-)-Epicatechin;
(2R,3R)-(-)-Epicatechin ; more

Formula: C15H14O6

Class: Endogenous Metabolites

Spectral Data

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

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite; Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 3
No. of Spectra 419
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 4/22/2022 8:53:33 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1
InChI Key PFTAWBLQPZVEMU-UKRRQHHQSA-N
Canonical SMILES C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
CAS
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Other Names L-Epicatechin;
2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R,3R)-;
(-)Epicatechin;
(-)-Epicatechin;
(2R,3R)-(-)-Epicatechin;
α Catechin;
2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol;
α-Catechin;
Colatein;
DS-3358;
EINECS 207-710-1;
epi-Catechin;
Epicatechin;
Epicatechin-(-);
Epicatechol;
L(-)-Epicatechin;
L-Epicatechol;
(2R,3R)-2-(3,4-Dihydroxyphenyl)chromane-3,5,7-triol;
2-(3,4-Dihydroxyphenyl)-2,3,4-trihydro-3,5,7-trihydroxychromene;
2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-cis-)-;
3,3',4',5,7-Pentahydroxyflavane

In Other Databases

ChEMBL CHEMBL583912; L22345
KEGG C09727
ChemIDPlus 000490460
ChemSpider 65230
Wikipedia Epicatechin
PubChem 72276; 72276
DrugBank DB12039
ChEBI CHEBI:90
HMDb HMDB0001871; HMDB0001871; HMDB0001871