| Properties | Image |
|---|
| MNX_ID | MNXM955260 |
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| reference | slm:000647645 |
| formula | C47H79NO9P |
| global charge | -1 |
| mol weight | 833.121 |
| InChIKey | XUYWYQZBWZUVGW-HIVSTXFSSA-M |
| InChI | InChI=1S/C47H80NO9P/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-35-37-45(49)48-40-41-55-58(52,53)56-43-44(57-47(51)39-34-9-6-3)42-54-46(50)38-36-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h7,10,14-17,20-23,27,29,44H,4-6,8-9,11-13,18-19,24-26,28,30-43H2,1-3H3,(H,48,49)(H,52,53)/p-1/b10-7-,16-14-,17-15-,22-20-,23-21-,29-27-/t44-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C47H80NO9P/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-35-37-45(49)48-40-41-55-58(52,53)56-43-44(57-47(51)39-34-9-6-3)42-54-46(50)38-36-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h7,10,14-17,20-23,27,29,44H,4-6,8-9,11-13,18-19,24-26,28,30-43H2,1-3H3,(H,48,49)(H,52,53)/b10-7-,16-14-,17-15-,22-20-,23-21-,29-27-/t44-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:35][CH2:37][C:45](=[N:48][CH2:40][CH2:41][O:55][P:58]([OH:52])(=[O:53])[O:56][CH2:43][C@@H:44]([CH2:42][O:54][C:46]([CH2:38][CH2:36][CH2:33][CH2:31]/[CH:29]=[CH:27]\[CH2:25]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13][CH2:11][CH2:8][CH2:5][CH3:2])=[O:50])[O:57][C:47]([CH2:39][CH2:34][CH2:9][CH2:6][CH3:3])=[O:51])[OH:49] |
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