| Properties | Image |
|---|
| MNX_ID | MNXM1029240 |
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| reference | slm:000721629 |
| formula | C70H123NO8P |
| global charge | -1 |
| mol weight | 1137.727 |
| InChIKey | NBPWKDIHLRYCJY-JSGNLBQHSA-M |
| InChI | InChI=1S/C70H124NO8P/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-45-49-53-57-61-70(73)79-68(65-76-63-58-54-50-46-42-41-43-47-51-55-59-67(3)4)66-78-80(74,75)77-64-62-71-69(72)60-56-52-48-44-39-37-35-20-18-16-14-12-10-8-6-2/h8,10,13-16,19-21,23-24,26-27,29-30,35,67-68H,5-7,9,11-12,17-18,22,25,28,31-34,36-66H2,1-4H3,(H,71,72)(H,74,75)/p-1/b10-8-,15-13-,16-14-,21-19-,24-23-,27-26-,30-29-,35-20-/t68-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C70H124NO8P/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-45-49-53-57-61-70(73)79-68(65-76-63-58-54-50-46-42-41-43-47-51-55-59-67(3)4)66-78-80(74,75)77-64-62-71-69(72)60-56-52-48-44-39-37-35-20-18-16-14-12-10-8-6-2/h8,10,13-16,19-21,23-24,26-27,29-30,35,67-68H,5-7,9,11-12,17-18,22,25,28,31-34,36-66H2,1-4H3,(H,71,72)(H,74,75)/b10-8-,15-13-,16-14-,21-19-,24-23-,27-26-,30-29-,35-20-/t68-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28]/[CH:29]=[CH:30]\[CH2:31][CH2:32][CH2:33][CH2:34][CH2:36][CH2:38][CH2:40][CH2:45][CH2:49][CH2:53][CH2:57][CH2:61][C:70](=[O:73])[O:79][C@H:68]([CH2:65][O:76][CH2:63][CH2:58][CH2:54][CH2:50][CH2:46][CH2:42][CH2:41][CH2:43][CH2:47][CH2:51][CH2:55][CH2:59][CH:67]([CH3:3])[CH3:4])[CH2:66][O:78][P:80]([OH:74])(=[O:75])[O:77][CH2:64][CH2:62][N:71]=[C:69]([CH2:60][CH2:56][CH2:52][CH2:48][CH2:44][CH2:39][CH2:37]/[CH:35]=[CH:20]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12]/[CH:10]=[CH:8]\[CH2:6][CH3:2])[OH:72] |
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