| Properties | Image |
|---|
| MNX_ID | MNXM967589 |
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| reference | slm:000659974 |
| formula | C71H125NO9P |
| global charge | -1 |
| mol weight | 1167.753 |
| InChIKey | MFRQBOPBEJXZAA-LPGPAWBNSA-M |
| InChI | InChI=1S/C71H126NO9P/c1-4-7-10-13-16-18-20-22-24-26-28-29-30-31-32-33-34-35-36-37-38-39-41-42-44-46-48-50-53-56-59-62-70(74)78-66-68(67-80-82(76,77)79-65-64-72-69(73)61-58-55-52-15-12-9-6-3)81-71(75)63-60-57-54-51-49-47-45-43-40-27-25-23-21-19-17-14-11-8-5-2/h16-19,22-25,28-29,31-32,40,43,68H,4-15,20-21,26-27,30,33-39,41-42,44-67H2,1-3H3,(H,72,73)(H,76,77)/p-1/b18-16-,19-17-,24-22-,25-23-,29-28-,32-31-,43-40-/t68-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCC)OC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C71H126NO9P/c1-4-7-10-13-16-18-20-22-24-26-28-29-30-31-32-33-34-35-36-37-38-39-41-42-44-46-48-50-53-56-59-62-70(74)78-66-68(67-80-82(76,77)79-65-64-72-69(73)61-58-55-52-15-12-9-6-3)81-71(75)63-60-57-54-51-49-47-45-43-40-27-25-23-21-19-17-14-11-8-5-2/h16-19,22-25,28-29,31-32,40,43,68H,4-15,20-21,26-27,30,33-39,41-42,44-67H2,1-3H3,(H,72,73)(H,76,77)/b18-16-,19-17-,24-22-,25-23-,29-28-,32-31-,43-40-/t68-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:18]\[CH2:20]/[CH:22]=[CH:24]\[CH2:26]/[CH:28]=[CH:29]\[CH2:30]/[CH:31]=[CH:32]\[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:41][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:53][CH2:56][CH2:59][CH2:62][C:70](=[O:74])[O:78][CH2:66][C@H:68]([CH2:67][O:80][P:82]([OH:76])(=[O:77])[O:79][CH2:65][CH2:64][N:72]=[C:69]([CH2:61][CH2:58][CH2:55][CH2:52][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:73])[O:81][C:71]([CH2:63][CH2:60][CH2:57][CH2:54][CH2:51][CH2:49][CH2:47][CH2:45]/[CH:43]=[CH:40]\[CH2:27]/[CH:25]=[CH:23]\[CH2:21]/[CH:19]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:75] |
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