| Properties | Image |
|---|
| MNX_ID | MNXM344908 |
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| reference | slm:000475798 |
| formula | C46H79O13P2 |
| global charge | -3 |
| mol weight | 902.073 |
| InChIKey | CEFSIFQUOYZAOW-YSMZVWLJSA-K |
| InChI | InChI=1S/C46H82O13P2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-46(49)59-44(41-55-45(48)37-35-33-31-10-8-6-4-2)42-58-61(53,54)57-40-43(47)39-56-60(50,51)52/h11-12,14-15,17-18,20-21,23-24,43-44,47H,3-10,13,16,19,22,25-42H2,1-2H3,(H,53,54)(H2,50,51,52)/p-3/b12-11-,15-14-,18-17-,21-20-,24-23-/t43-,44+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C46H82O13P2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-46(49)59-44(41-55-45(48)37-35-33-31-10-8-6-4-2)42-58-61(53,54)57-40-43(47)39-56-60(50,51)52/h11-12,14-15,17-18,20-21,23-24,43-44,47H,3-10,13,16,19,22,25-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b12-11-,15-14-,18-17-,21-20-,24-23-/t43-,44+/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]/[CH:23]=[CH:24]\[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][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][CH2:10][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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