| Properties | Image |
|---|
| MNX_ID | MNXM1046452 |
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| reference | slm:000738841 |
| formula | C69H125NO8P |
| global charge | -1 |
| mol weight | 1127.732 |
| InChIKey | XIOGQMMJHHHBOQ-PTLNWWOZSA-M |
| InChI | InChI=1S/C69H126NO8P/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-35-36-37-38-40-43-46-49-52-55-58-61-69(72)78-67(65-75-63-59-56-53-50-47-44-41-29-26-23-20-17-14-11-8-5-2)66-77-79(73,74)76-64-62-70-68(71)60-57-54-51-48-45-42-39-27-24-21-18-15-12-9-6-3/h14,16-17,19,25,27-28,31-32,34-35,39,67H,4-13,15,18,20-24,26,29-30,33,36-38,40-66H2,1-3H3,(H,70,71)(H,73,74)/p-1/b17-14-,19-16-,28-25-,32-31-,35-34-,39-27-/t67-/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C69H126NO8P/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-35-36-37-38-40-43-46-49-52-55-58-61-69(72)78-67(65-75-63-59-56-53-50-47-44-41-29-26-23-20-17-14-11-8-5-2)66-77-79(73,74)76-64-62-70-68(71)60-57-54-51-48-45-42-39-27-24-21-18-15-12-9-6-3/h14,16-17,19,25,27-28,31-32,34-35,39,67H,4-13,15,18,20-24,26,29-30,33,36-38,40-66H2,1-3H3,(H,70,71)(H,73,74)/b17-14-,19-16-,28-25-,32-31-,35-34-,39-27-/t67-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:30]/[CH:31]=[CH:32]\[CH2:33]/[CH:34]=[CH:35]\[CH2:36][CH2:37][CH2:38][CH2:40][CH2:43][CH2:46][CH2:49][CH2:52][CH2:55][CH2:58][CH2:61][C:69](=[O:72])[O:78][C@H:67]([CH2:65][O:75][CH2:63][CH2:59][CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:29][CH2:26][CH2:23][CH2:20]/[CH:17]=[CH:14]\[CH2:11][CH2:8][CH2:5][CH3:2])[CH2:66][O:77][P:79]([OH:73])(=[O:74])[O:76][CH2:64][CH2:62][N:70]=[C:68]([CH2:60][CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42]/[CH:39]=[CH:27]\[CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:71] |
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