Chemical Component Summary | |
|---|---|
| Name | AMORFRUTIN B |
| Identifiers | 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methoxy-2-oxidanyl-6-(2-phenylethyl)benzoic acid |
| Formula | C26 H32 O4 |
| Molecular Weight | 408.53 |
| Type | NON-POLYMER |
| Isomeric SMILES | CC(=CCC/C(=C/Cc1c(cc(c(c1O)C(=O)O)CCc2ccccc2)OC)/C)C |
| InChI | InChI=1S/C26H32O4/c1-18(2)9-8-10-19(3)13-16-22-23(30-4)17-21(24(25(22)27)26(28)29)15-14-20-11-6-5-7-12-20/h5-7,9,11-13,17,27H,8,10,14-16H2,1-4H3,(H,28,29)/b19-13+ |
| InChIKey | DKNIJLWIVUCTHW-CPNJWEJPSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 62 |
| Chiral Atom Count | 0 |
| Bond Count | 63 |
| Aromatic Bond Count | 12 |
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL2337127 |
| PubChem | 24739090 |
| ChEMBL | CHEMBL2337127 |
