| Properties | Image |
|---|
| MNX_ID | MNXM343507 |
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| reference | slm:000475718 |
| formula | C40H65O13P2 |
| global charge | -3 |
| mol weight | 815.895 |
| InChIKey | NUMWOSJTKIIUFI-PIAMVGRKSA-K |
| InChI | InChI=1S/C40H68O13P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-40(43)53-38(35-49-39(42)31-4-2)36-52-55(47,48)51-34-37(41)33-50-54(44,45)46/h5-6,8-9,11-12,14-15,17-18,20-21,37-38,41H,3-4,7,10,13,16,19,22-36H2,1-2H3,(H,47,48)(H2,44,45,46)/p-3/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t37-,38+/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C40H68O13P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-40(43)53-38(35-49-39(42)31-4-2)36-52-55(47,48)51-34-37(41)33-50-54(44,45)46/h5-6,8-9,11-12,14-15,17-18,20-21,37-38,41H,3-4,7,10,13,16,19,22-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t37-,38+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH: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][CH2:32][C:40](=[O:43])[O:53][C@H:38]([CH2:35][O:49][C:39]([CH2:31][CH2:4][CH3:2])=[O:42])[CH2:36][O:52][P:55]([OH:47])(=[O:48])[O:51][CH2:34][C@H:37]([CH2:33][O:50][P:54]([OH:44])([OH:45])=[O:46])[OH:41] |
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