Showing Metabocard for (4E,8E)-10-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4,8-dimethyldeca-4,8-dienoyl-CoA (BASm0011401)
| Common Name | (4e,8e)-10-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4,8-dimethyldeca-4,8-dienoyl-coa |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C43H58N7O21P3S |
| Average Mass | 1133.95000 |
| Monoisotopic Mass | 1133.26413 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | COc1c(C)c2c(c(O)c1C/C=C(\C)CC/C=C(\C)CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]1OP(=O)([O-])[O-])C(=O)OC2 |
| InChI Identifier | InChI=1S/C43H62N7O21P3S/c1-23(10-12-26-33(53)31-27(18-66-42(31)57)25(3)35(26)65-6)8-7-9-24(2)11-13-30(52)75-17-16-45-29(51)14-15-46-40(56)37(55)43(4,5)20-68-74(63,64)71-73(61,62)67-19-28-36(70-72(58,59)60)34(54)41(69-28)50-22-49-32-38(44)47-21-48-39(32)50/h9-10,21-22,28,34,36-37,41,53-55H,7-8,11-20H2,1-6H3,(H,45,51)(H,46,56)(H,61,62)(H,63,64)(H2,44,47,48)(H2,58,59,60)/p-4/b23-10+,24-9+/t28-,34-,36-,37+,41-/m1/s1 |
| InChI Key | ZISNXSVFWCUBME-JYPJTZHNSA-J |
| CHEBI ID | CHEBI:167446 |
| MiMeDB ID | MMDBc0054946 |
| State | Expected Solid |
| 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 |