| Properties | Image |
|---|
| MNX_ID | MNXM16147 |
 |
| reference | metacycM:CPD-11918 |
| formula | C49H82O11P |
| global charge | -1 |
| mol weight | 878.158 |
| InChIKey | NENJIGZIVSXAMB-IAPFVRBOSA-M |
| InChI | InChI=1S/C49H83O11P/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-57-33-43(34-59-61(55,56)60-49-47(53)45(51)44(50)46(52)48(49)54)58-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h17-18,21-22,25-26,29-30,43-54H,11-16,19-20,23-24,27-28,31-34H2,1-10H3,(H,55,56)/p-1/b37-21+,38-22+,39-25+,40-26+,41-29+,42-30+/t43-,44-,45-,46+,47+,48+,49-/m0/s1 |
| SMILES | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COC[C@@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C |
MNX internals
| InChI (mnx) | InChI=1/C49H83O11P/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-57-33-43(34-59-61(55,56)60-49-47(53)45(51)44(50)46(52)48(49)54)58-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h17-18,21-22,25-26,29-30,43-54H,11-16,19-20,23-24,27-28,31-34H2,1-10H3,(H,55,56)/b37-21+,38-22+,39-25+,40-26+,41-29+,42-30+/t43-,44-,45-,46+,47+,48+,49-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:35]([CH3:2])=[CH:17][CH2:11][CH2:19]/[C:37]([CH3:5])=[CH:21]/[CH2:13][CH2:23]/[C:39]([CH3:7])=[CH:25]/[CH2:15][CH2:27]/[C:41]([CH3:9])=[CH:29]/[CH2:31][O:57][CH2:33][C@@H:43]([CH2:34][O:59][P:61]([OH:55])(=[O:56])[O:60][C@H:49]1[C@H:47]([OH:53])[C@@H:45]([OH:51])[C@H:44]([OH:50])[C@@H:46]([OH:52])[C@H:48]1[OH:54])[O:58][CH2:32]/[CH:30]=[C:42](\[CH3:10])[CH2:28][CH2:16]/[CH:26]=[C:40](\[CH3:8])[CH2:24][CH2:14]/[CH:22]=[C:38](\[CH3:6])[CH2:20][CH2:12][CH:18]=[C:36]([CH3:3])[CH3:4] |
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