| Number |
qtl-m1399 |
| Declustering Potential(DP) |
|
| Collision Energy(CE) |
|
| Observed mass(Da) |
|
| Exact mass(Da) |
|
| Accurate mass error(ppm) |
|
| Molecular formula |
|
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
291.1 |
| Product ions(Q3) |
139 |
| Main fragments |
|
| Compound |
(+)-Epicatechin |
| Identification |
putative |
| class |
Flavonoid |
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:76125 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
|
| CAS Registry Numbers |
35323-91-2;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
(+)-epicatechin;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A catechin that is flavan carrying five hydroxy substituents at positions 3, 3', 4', 5 and 7 (the 2S,3S-stereoisomer).;; |
| DrugBank Database Links |
|
| Formulae |
C15H14O6;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
(2S,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;; |
| 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;; |
| InChIKey |
PFTAWBLQPZVEMU-ZFWWWQNUSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
C09728 |
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
28 Jul 2014;; |
| Mass |
290.26810;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
171572012;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
15568761;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
|
| SMILES |
O[C@H]1Cc2c(O)cc(O)cc2O[C@H]1c1ccc(O)c(O)c1;; |
| Secondary ChEBI ID |
|
| Star |
3;; |
| Synonyms |
ent-Epicatechin;;(2S,3S)-3,3',4',5,7-pentahydroxyflavan;;(2S,3S)-3',4',5,7-tetrahydroxyflavan-3-ol;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
|
| ChEBI Image |
 |
| |
|
