AY9
Summary
| Name: | Ascopyrone M |
| Formula: | C6 H8 O4 |
| Formal charge: | 0 |
| Formula weight: | 144.125 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (6S)-4-hydroxy-6-(hydroxymethyl)-2H-pyran-3(6H)-one |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-(hydroxymethyl)-4-oxidanyl-2H-pyran-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C(O)=CC(OC1)CO |
| InChI | InChI | 1.03 | InChI=1S/C6H8O4/c7-2-4-1-5(8)6(9)3-10-4/h1,4,7-8H,2-3H2/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | XUKJGZOHRVCEJL-BYPYZUCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC[C@H]1OCC(=O)C(=C1)O |
| SMILES | CACTVS | 3.370 | OC[CH]1OCC(=O)C(=C1)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1C(=O)C(=C[C@H](O1)CO)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1C(=O)C(=CC(O1)CO)O |
