| Properties | Image |
|---|
| MNX_ID | MNXM148083 |
 |
| reference | metacycM:CPD-17764 |
| formula | C46H77O11P2 |
| global charge | -3 |
| mol weight | 868.059 |
| InChIKey | WUTGTEBDFLXELE-FJPWGQKQSA-K |
| InChI | InChI=1S/C46H80O11P2/c1-37(2)17-11-19-39(5)21-13-23-41(7)25-15-27-43(9)29-31-53-35-46(36-57-59(51,52)56-34-45(47)33-55-58(48,49)50)54-32-30-44(10)28-16-26-42(8)24-14-22-40(6)20-12-18-38(3)4/h17-18,21-22,25-26,29-30,45-47H,11-16,19-20,23-24,27-28,31-36H2,1-10H3,(H,51,52)(H2,48,49,50)/p-3/b39-21+,40-22+,41-25+,42-26+,43-29+,44-30+/t45-,46+/m1/s1 |
| SMILES | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COC[C@@H](COP(=O)([O-])OC[C@H](O)COP(=O)([O-])[O-])OC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C |
MNX internals
| InChI (mnx) | InChI=1/C46H80O11P2/c1-37(2)17-11-19-39(5)21-13-23-41(7)25-15-27-43(9)29-31-53-35-46(36-57-59(51,52)56-34-45(47)33-55-58(48,49)50)54-32-30-44(10)28-16-26-42(8)24-14-22-40(6)20-12-18-38(3)4/h17-18,21-22,25-26,29-30,45-47H,11-16,19-20,23-24,27-28,31-36H2,1-10H3,(H,51,52)(H2,48,49,50)/b39-21+,40-22+,41-25+,42-26+,43-29+,44-30+/t45-,46+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:37]([CH3:2])=[CH:17][CH2:11][CH2:19]/[C:39]([CH3:5])=[CH:21]/[CH2:13][CH2:23]/[C:41]([CH3:7])=[CH:25]/[CH2:15][CH2:27]/[C:43]([CH3:9])=[CH:29]/[CH2:31][O:53][CH2:35][C@@H:46]([CH2:36][O:57][P:59]([OH:51])(=[O:52])[O:56][CH2:34][C@@H:45]([CH2:33][O:55][P:58]([OH:48])([OH:49])=[O:50])[OH:47])[O:54][CH2:32]/[CH:30]=[C:44](\[CH3:10])[CH2:28][CH2:16]/[CH:26]=[C:42](\[CH3:8])[CH2:24][CH2:14]/[CH:22]=[C:40](\[CH3:6])[CH2:20][CH2:12][CH:18]=[C:38]([CH3:3])[CH3:4] |
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