| Properties | Image |
|---|
| MNX_ID | MNXM227043 |
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| reference | slm:000497738 |
| formula | C42H71O13P2 |
| global charge | -3 |
| mol weight | 845.965 |
| InChIKey | XGSVBKCVHHVVER-GRAXDKDWSA-K |
| InChI | InChI=1S/C42H74O13P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-41(44)51-37-40(55-42(45)33-4-2)38-54-57(49,50)53-36-39(43)35-52-56(46,47)48/h8-9,11-12,14-15,17-18,20-21,39-40,43H,3-7,10,13,16,19,22-38H2,1-2H3,(H,49,50)(H2,46,47,48)/p-3/b9-8-,12-11-,15-14-,18-17-,21-20-/t39-,40+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-])OC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C42H74O13P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-41(44)51-37-40(55-42(45)33-4-2)38-54-57(49,50)53-36-39(43)35-52-56(46,47)48/h8-9,11-12,14-15,17-18,20-21,39-40,43H,3-7,10,13,16,19,22-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b9-8-,12-11-,15-14-,18-17-,21-20-/t39-,40+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:34][C:41](=[O:44])[O:51][CH2:37][C@H:40]([CH2:38][O:54][P:57]([OH:49])(=[O:50])[O:53][CH2:36][C@H:39]([CH2:35][O:52][P:56]([OH:46])([OH:47])=[O:48])[OH:43])[O:55][C:42]([CH2:33][CH2:4][CH3:2])=[O:45] |
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