Catechin

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Systematic / IUPAC Name: (2R,3S)-2-(3,4-Dihydroxyphenyl)-3,5,7-chromanetriol

ID: Reference1524

Other Names: (+)-Catechin;
(+)-Catechol;
(+)-Cianidanol;
(+)-Cyanidan-3-ol;
(+)-Cyanidanol ; more

Formula: C15H14O6

Class: Endogenous Metabolites

Spectral Data

Catechin 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 5
No. of Spectra 4817
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI; NSI
Analyzers IT; FT
Last Modification 4/22/2022 9:07:17 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+/m0/s1
InChI Key PFTAWBLQPZVEMU-DZGCQCFKSA-N
Canonical SMILES C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
CAS 88191484
Splash
Other Names (+)-Catechin;
(+)-Catechol;
(+)-Cianidanol;
(+)-Cyanidan-3-ol;
(+)-Cyanidanol;
(+)-Cyanidanol-3;
(+)-Cyanidol-3;
(2R,3S)-(+)-Catechin;
(2R,3S)-Catechin;
3,3',4',5,7-Flavanpentol;
3-Cyanidanol, (+)-;
Biocatechin;
Catechin-(+,-) hydrate;
Catechin, D;
Catechinate;
Catechine DL-form;
Catechinic acid;
Cianidanol;
Cianidanolum;
Cianidol;
Cyanidanol;
D-(+)-Catechin;
D-Catechin;
D-Catechol;
Dexcyanidanol;
DL-Catechin;
(+)-(2R,3S)-5,7,3',4'-Tetrahydroxyflavan-3-ol;
(+)-(2R:3S)-5,7,3',4'-Tetrahydroxyflavan-3-ol;
(+)-3',4',5,7-Tetrahydroxy-2,3-trans-flavan-3-ol;
(2R,3S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-1H-chromene-3,5,7-triol;
(2R,3S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol;
(2R,3S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;
(2R,3S)-2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol;
(2R,3S)-2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol;hydrate;
(2R,3S)-2-(3,4-Dihydroxyphenyl)chromane-3,5,7-triol;
(2R-trans-)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol;
(2R-trans-)-2-(3,4-Dihydroxyphenyl)-3-4-dihydro-2H-1-benzopyran-3,5,7-triol;
(3S,2R)-2-(3,4-Dihydroxyphenyl)chromane-3,5,7-triol;
2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol, (2R-trans-);
2-(3,4-Dihydroxyphenyl)chromane-3,5,7-triol;
2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R,3S)-;
2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-trans-)-;
trans-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol;
trans-3,3,4,5,7 Pentahydroxyflavane

In Other Databases

KEGG C06562
ChEBI CHEBI:15600
PubChem 9064; 9064
Wikipedia Catechin
ChemSpider 8711
HMDb HMDB0002780; HMDB0002780; HMDB0002780
ChEMBL CHEMBL311498
DrugBank DB14086
ChemIDPlus 000154234