RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0135185 | |
|---|---|---|
| RefMet name | Catechin | |
| Systematic name | (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 290.079040 (neutral) | Calculate m/z:
View other RefMet entries with this exact (neutral) mass: +/- 0.05 amu +/- 0.1 amu +/- 0.2 amu +/- 0.5 amu |
| Formula | C15H14O6 | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 21831 (Download molfile/View MW Metabolite Database details) | |
| 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-DZGCQCFKSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | c1cc(c(cc1[C@@H]1[C@H](Cc2c(cc(cc2O1)O)O)O)O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Polyketides | |
| Main Class | Flavonoids | |
| Sub Class | Flavans, Flavanols and Leucoanthocyanidins | |
| Distribution of Catechin in NMDR studies | ||
| Species | Plot Species distribution | |
| Sample source | Plot Sample source(tissue) distribution | |
| Platform | Platform (MS/NMR) used for detection | |
| Chromatography | Chromatography methods used for detection | |
| Studies | NMDR Studies reporting Catechin | |
| External Links | ||
| Pubchem CID | 9064 | |
| LIPID MAPS | LMPK12020001 | |
| ChEBI ID | 15600 | |
| KEGG ID | C06562 | |
| HMDB ID | HMDB0002780 | |
| Chemspider ID | 8711 | |
| MetaCyc ID | CPD-1961 | |
| PhytoHub DB | PHUB000261 | |
| Spectral data for Catechin standards | ||
| NP-MRD ID(NMR) | View NMR spectra | |
| MassBank(EU) | View MS spectra | |
| Structural annotation level | ||
| Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) | |
