M5O
Summary
| Name: | (2~{S},3~{R})-2-[3,4-bis(oxidanyl)phenyl]-3,4-dihydro-2~{H}-chromene-3,5,7-triol |
| Synonyms: | (-)-catechin |
| Formula: | C15 H14 O6 |
| Formal charge: | 0 |
| Formula weight: | 290.268 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{R})-2-[3,4-bis(oxidanyl)phenyl]-3,4-dihydro-2~{H}-chromene-3,5,7-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | 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 |
| InChIKey | InChI | 1.06 | PFTAWBLQPZVEMU-HIFRSBDPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c3ccc(O)c(O)c3 |
| SMILES | CACTVS | 3.385 | O[CH]1Cc2c(O)cc(O)cc2O[CH]1c3ccc(O)c(O)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1[C@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1C2C(Cc3c(cc(cc3O2)O)O)O)O)O |
