| Properties | Image |
|---|
| MNX_ID | MNXM10735 |
 |
| reference | metacycM:CPD-11917 |
| formula | C49H81O14P2 |
| global charge | -3 |
| mol weight | 956.121 |
| InChIKey | MVYILDHASNXKNO-IAPFVRBOSA-K |
| InChI | InChI=1S/C49H84O14P2/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-59-33-43(60-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4)34-61-65(57,58)63-49-46(52)44(50)45(51)48(47(49)53)62-64(54,55)56/h17-18,21-22,25-26,29-30,43-53H,11-16,19-20,23-24,27-28,31-34H2,1-10H3,(H,57,58)(H2,54,55,56)/p-3/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](OP(=O)([O-])[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/C49H84O14P2/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-59-33-43(60-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4)34-61-65(57,58)63-49-46(52)44(50)45(51)48(47(49)53)62-64(54,55)56/h17-18,21-22,25-26,29-30,43-53H,11-16,19-20,23-24,27-28,31-34H2,1-10H3,(H,57,58)(H2,54,55,56)/b37-21+,38-22+,39-25+,40-26+,41-29+,42-30+/t43-,44-,45-,46+,47+,48+,49-/m0/s1 |
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| 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:59][CH2:33][C@@H:43]([CH2:34][O:61][P:65]([OH:57])(=[O:58])[O:63][C@H:49]1[C@H:46]([OH:52])[C@@H:44]([OH:50])[C@H:45]([OH:51])[C@@H:48]([O:62][P:64]([OH:54])([OH:55])=[O:56])[C@H:47]1[OH:53])[O:60][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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