Showing Metabocard for cimicifugate E (BASm0012213)
| Common Name | Cimicifugate e |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C21H20O10 |
| Average Mass | 432.38100 |
| Monoisotopic Mass | 432.10565 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | COc1cc(/C=C/C(=O)O[C@H](C(=O)[O-])[C@](O)(Cc2ccc(O)cc2)C(=O)[O-])ccc1O |
| InChI Identifier | InChI=1S/C21H20O10/c1-30-16-10-12(4-8-15(16)23)5-9-17(24)31-18(19(25)26)21(29,20(27)28)11-13-2-6-14(22)7-3-13/h2-10,18,22-23,29H,11H2,1H3,(H,25,26)(H,27,28) |
| InChI Key | CAIGUMKGQLGFBR-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:192793 |
| 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 |