| Properties | Image |
|---|
| MNX_ID | MNXM319621 |
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| reference | slm:000436720 |
| formula | C65H111O16P2 |
| global charge | -3 |
| mol weight | 1210.535 |
| InChIKey | YAAODRGTLGMEFJ-SCOZXAJCSA-K |
| InChI | InChI=1S/C65H114O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-59(67)79-57(55-77-58(66)53-51-49-47-45-43-41-39-18-16-14-12-10-8-6-4-2)56-78-83(75,76)81-65-62(70)60(68)61(69)64(63(65)71)80-82(72,73)74/h6,8,11-14,17-19,21-22,24-25,39,57,60-65,68-71H,3-5,7,9-10,15-16,20,23,26-38,40-56H2,1-2H3,(H,75,76)(H2,72,73,74)/p-3/b8-6-,13-11-,14-12-,19-17-,22-21-,25-24-,39-18-/t57-,60-,61-,62-,63-,64+,65-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[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(=O)CCCCCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C65H114O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-59(67)79-57(55-77-58(66)53-51-49-47-45-43-41-39-18-16-14-12-10-8-6-4-2)56-78-83(75,76)81-65-62(70)60(68)61(69)64(63(65)71)80-82(72,73)74/h6,8,11-14,17-19,21-22,24-25,39,57,60-65,68-71H,3-5,7,9-10,15-16,20,23,26-38,40-56H2,1-2H3,(H,75,76)(H2,72,73,74)/b8-6-,13-11-,14-12-,19-17-,22-21-,25-24-,39-18-/t57-,60-,61-,62-,63-,64+,65-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][C:59](=[O:67])[O:79][C@H:57]([CH2:55][O:77][C:58]([CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41]/[CH:39]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:66])[CH2:56][O:78][P:83]([OH:75])(=[O:76])[O:81][C@@H:65]1[C@H:62]([OH:70])[C@H:60]([OH:68])[C@@H:61]([OH:69])[C@H:64]([O:80][P:82]([OH:72])([OH:73])=[O:74])[C@H:63]1[OH:71] |
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