| Properties | Image |
|---|
| MNX_ID | MNXM350034 |
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| reference | slm:000475959 |
| formula | C46H81O13P2 |
| global charge | -3 |
| mol weight | 904.089 |
| InChIKey | INHKNYYIWYBLKF-ODBXDLRMSA-K |
| InChI | InChI=1S/C46H84O13P2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-46(49)59-44(41-55-45(48)37-35-33-31-29-12-10-8-6-4-2)42-58-61(53,54)57-40-43(47)39-56-60(50,51)52/h11,13,15-16,18-19,21-22,43-44,47H,3-10,12,14,17,20,23-42H2,1-2H3,(H,53,54)(H2,50,51,52)/p-3/b13-11-,16-15-,19-18-,22-21-/t43-,44+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C46H84O13P2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-46(49)59-44(41-55-45(48)37-35-33-31-29-12-10-8-6-4-2)42-58-61(53,54)57-40-43(47)39-56-60(50,51)52/h11,13,15-16,18-19,21-22,43-44,47H,3-10,12,14,17,20,23-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b13-11-,16-15-,19-18-,22-21-/t43-,44+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:14]/[CH:15]=[CH:16]\[CH2:17]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][C:46](=[O:49])[O:59][C@H:44]([CH2:41][O:55][C:45]([CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:48])[CH2:42][O:58][P:61]([OH:53])(=[O:54])[O:57][CH2:40][C@H:43]([CH2:39][O:56][P:60]([OH:50])([OH:51])=[O:52])[OH:47] |
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