EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H12O7 |
| Net Charge | 0 |
| Average Mass | 304.254 |
| Monoisotopic Mass | 304.05830 |
| SMILES | O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@@H]1O |
| InChI | InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15-/m1/s1 |
| InChIKey | CXQWRCVTCMQVQX-HUUCEWRRSA-N |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (−)-epitaxifolin (CHEBI:75747) has role metabolite (CHEBI:25212) |
| (−)-epitaxifolin (CHEBI:75747) is a taxifolin (CHEBI:38747) |
| (−)-epitaxifolin (CHEBI:75747) is enantiomer of (+)-epitaxifolin (CHEBI:32330) |
| Incoming Relation(s) |
| (−)-epitaxifolin 3-O-α-D-arabinopyranoside (CHEBI:75748) has functional parent (−)-epitaxifolin (CHEBI:75747) |
| (+)-epitaxifolin (CHEBI:32330) is enantiomer of (−)-epitaxifolin (CHEBI:75747) |
| IUPAC Name |
|---|
| (2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one |
| Synonym | Source |
|---|---|
| (2R,3S)-epitaxifolin | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| LSM-5997 | LINCS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:6574537 | Reaxys |