Showing Metabocard for (4E,8E)-10-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-3-oxo-4,8-dimethyldeca-4,8-dienoyl-CoA (BASm0011485)
| Common Name | (4e,8e)-10-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-3-oxo-4,8-dimethyldeca-4,8-dienoyl-coa |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | Not Available |
| Average Mass | Not Available |
| Monoisotopic Mass | Not Available |
| 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)C(=O)CC(=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/C43H60N7O22P3S/c1-22(10-11-25-33(54)31-26(17-67-42(31)58)24(3)35(25)66-6)8-7-9-23(2)27(51)16-30(53)76-15-14-45-29(52)12-13-46-40(57)37(56)43(4,5)19-69-75(64,65)72-74(62,63)68-18-28-36(71-73(59,60)61)34(55)41(70-28)50-21-49-32-38(44)47-20-48-39(32)50/h9-10,20-21,28,34,36-37,41,54-56H,7-8,11-19H2,1-6H3,(H,45,52)(H,46,57)(H,62,63)(H,64,65)(H2,44,47,48)(H2,59,60,61)/p-4/b22-10+,23-9+/t28-,34-,36-,37+,41-/m1/s1 |
| InChI Key | YEAMCDUFAYUNPX-GUJHICRLSA-J |
| CHEBI ID | CHEBI:167864 |
| 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 |