| Properties | Image |
|---|
| MNX_ID | MNXM966104 |
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| reference | slm:000658489 |
| formula | C69H117NO9P |
| global charge | -1 |
| mol weight | 1135.667 |
| InChIKey | FSQJKROAWBHPGI-GBHXIVJESA-M |
| InChI | InChI=1S/C69H118NO9P/c1-4-7-10-13-15-17-19-21-23-25-27-29-30-31-32-33-34-35-36-38-39-41-43-45-47-49-51-54-57-60-68(72)76-64-66(65-78-80(74,75)77-63-62-70-67(71)59-56-53-12-9-6-3)79-69(73)61-58-55-52-50-48-46-44-42-40-37-28-26-24-22-20-18-16-14-11-8-5-2/h8,11,15-18,21-24,27-29,31-32,37,42,44,66H,4-7,9-10,12-14,19-20,25-26,30,33-36,38-41,43,45-65H2,1-3H3,(H,70,71)(H,74,75)/p-1/b11-8-,17-15-,18-16-,23-21-,24-22-,29-27-,32-31-,37-28-,44-42-/t66-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C69H118NO9P/c1-4-7-10-13-15-17-19-21-23-25-27-29-30-31-32-33-34-35-36-38-39-41-43-45-47-49-51-54-57-60-68(72)76-64-66(65-78-80(74,75)77-63-62-70-67(71)59-56-53-12-9-6-3)79-69(73)61-58-55-52-50-48-46-44-42-40-37-28-26-24-22-20-18-16-14-11-8-5-2/h8,11,15-18,21-24,27-29,31-32,37,42,44,66H,4-7,9-10,12-14,19-20,25-26,30,33-36,38-41,43,45-65H2,1-3H3,(H,70,71)(H,74,75)/b11-8-,17-15-,18-16-,23-21-,24-22-,29-27-,32-31-,37-28-,44-42-/t66-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:15]=[CH:17]\[CH2:19]/[CH:21]=[CH:23]\[CH2:25]/[CH:27]=[CH:29]\[CH2:30]/[CH:31]=[CH:32]\[CH2:33][CH2:34][CH2:35][CH2:36][CH2:38][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:54][CH2:57][CH2:60][C:68](=[O:72])[O:76][CH2:64][C@H:66]([CH2:65][O:78][P:80]([OH:74])(=[O:75])[O:77][CH2:63][CH2:62][N:70]=[C:67]([CH2:59][CH2:56][CH2:53][CH2:12][CH2:9][CH2:6][CH3:3])[OH:71])[O:79][C:69]([CH2:61][CH2:58][CH2:55][CH2:52][CH2:50][CH2:48][CH2:46]/[CH:44]=[CH:42]\[CH2:40]/[CH:37]=[CH:28]\[CH2:26]/[CH:24]=[CH:22]\[CH2:20]/[CH:18]=[CH:16]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:73] |
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