| Properties | Image |
|---|
| MNX_ID | MNXM344824 |
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| reference | slm:000475792 |
| formula | C42H73O13P2 |
| global charge | -3 |
| mol weight | 847.981 |
| InChIKey | HGXHYTQJXLBOOX-OLTAKKINSA-K |
| InChI | InChI=1S/C42H76O13P2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32-34-42(45)55-40(37-51-41(44)33-31-29-27-10-8-6-4-2)38-54-57(49,50)53-36-39(43)35-52-56(46,47)48/h11-12,14-15,17-18,20-21,39-40,43H,3-10,13,16,19,22-38H2,1-2H3,(H,49,50)(H2,46,47,48)/p-3/b12-11-,15-14-,18-17-,21-20-/t39-,40+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C42H76O13P2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32-34-42(45)55-40(37-51-41(44)33-31-29-27-10-8-6-4-2)38-54-57(49,50)53-36-39(43)35-52-56(46,47)48/h11-12,14-15,17-18,20-21,39-40,43H,3-10,13,16,19,22-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b12-11-,15-14-,18-17-,21-20-/t39-,40+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[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][CH2:28][CH2:30][CH2:32][CH2:34][C:42](=[O:45])[O:55][C@H:40]([CH2:37][O:51][C:41]([CH2:33][CH2:31][CH2:29][CH2:27][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:44])[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] |
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