Showing Metabocard for (E)-ferulic acid beta-D-glucuronate ester (BASm0013035)
| Common Name | (e)-ferulic acid beta-d-glucuronate ester |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C16H18O10 |
| Average Mass | 370.31000 |
| Monoisotopic Mass | 370.09000 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)ccc1O |
| InChI Identifier | InChI=1S/C16H18O10/c1-24-9-6-7(2-4-8(9)17)3-5-10(18)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2-6,11-14,16-17,19-21H,1H3,(H,22,23)/b5-3+ |
| InChI Key | QJPVKEBTJJKZFP-HWKANZROSA-N |
| CHEBI ID | CHEBI:231332 |
| State | Not Available |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | Not Available |
| Polarizability | Not Available |