| Properties | Image |
|---|
| MNX_ID | MNXM219147 |
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| reference | slm:000472184 |
| formula | C66H117O13P2 |
| global charge | -3 |
| mol weight | 1180.597 |
| InChIKey | JBWJXCNBTSICPE-AJLOINEJSA-K |
| InChI | InChI=1S/C66H120O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-56-58-66(69)79-64(62-78-81(73,74)77-60-63(67)59-76-80(70,71)72)61-75-65(68)57-55-53-51-49-47-45-43-41-39-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-24,26-27,63-64,67H,3-10,15-16,21-22,25,28-62H2,1-2H3,(H,73,74)(H2,70,71,72)/p-3/b13-11-,14-12-,19-17-,20-18-,24-23-,27-26-/t63-,64+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C66H120O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-56-58-66(69)79-64(62-78-81(73,74)77-60-63(67)59-76-80(70,71)72)61-75-65(68)57-55-53-51-49-47-45-43-41-39-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-24,26-27,63-64,67H,3-10,15-16,21-22,25,28-62H2,1-2H3,(H,73,74)(H2,70,71,72)/b13-11-,14-12-,19-17-,20-18-,24-23-,27-26-/t63-,64+/m0/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]\[CH2:21]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH: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][CH2:56][CH2:58][C:66](=[O:69])[O:79][C@H:64]([CH2:61][O:75][C:65]([CH2:57][CH2:55][CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:68])[CH2:62][O:78][P:81]([OH:73])(=[O:74])[O:77][CH2:60][C@H:63]([CH2:59][O:76][P:80]([OH:70])([OH:71])=[O:72])[OH:67] |
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