| Properties | Image |
|---|
| MNX_ID | MNXM961569 |
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| reference | slm:000653954 |
| formula | C69H115NO9P |
| global charge | -1 |
| mol weight | 1133.651 |
| InChIKey | JRQRSUBITSYGGO-OFXTXBLTSA-M |
| InChI | InChI=1S/C69H116NO9P/c1-4-7-10-13-16-18-20-22-24-26-28-30-31-32-33-34-35-37-39-41-43-45-47-49-52-55-58-61-69(73)79-66(65-78-80(74,75)77-63-62-70-67(71)59-56-53-50-15-12-9-6-3)64-76-68(72)60-57-54-51-48-46-44-42-40-38-36-29-27-25-23-21-19-17-14-11-8-5-2/h7,10,16-19,22-25,28-30,32-33,35-37,40,42,66H,4-6,8-9,11-15,20-21,26-27,31,34,38-39,41,43-65H2,1-3H3,(H,70,71)(H,74,75)/p-1/b10-7-,18-16-,19-17-,24-22-,25-23-,30-28-,33-32-,36-29-,37-35-,42-40-/t66-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C69H116NO9P/c1-4-7-10-13-16-18-20-22-24-26-28-30-31-32-33-34-35-37-39-41-43-45-47-49-52-55-58-61-69(73)79-66(65-78-80(74,75)77-63-62-70-67(71)59-56-53-50-15-12-9-6-3)64-76-68(72)60-57-54-51-48-46-44-42-40-38-36-29-27-25-23-21-19-17-14-11-8-5-2/h7,10,16-19,22-25,28-30,32-33,35-37,40,42,66H,4-6,8-9,11-15,20-21,26-27,31,34,38-39,41,43-65H2,1-3H3,(H,70,71)(H,74,75)/b10-7-,18-16-,19-17-,24-22-,25-23-,30-28-,33-32-,36-29-,37-35-,42-40-/t66-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:18]\[CH2:20]/[CH:22]=[CH:24]\[CH2:26]/[CH:28]=[CH:30]\[CH2:31]/[CH:32]=[CH:33]\[CH2:34]/[CH:35]=[CH:37]\[CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:52][CH2:55][CH2:58][CH2:61][C:69](=[O:73])[O:79][C@H:66]([CH2:64][O:76][C:68]([CH2:60][CH2:57][CH2:54][CH2:51][CH2:48][CH2:46][CH2:44]/[CH:42]=[CH:40]\[CH2:38]/[CH:36]=[CH:29]\[CH2:27]/[CH:25]=[CH:23]\[CH2:21]/[CH:19]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:72])[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][CH2:50][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:71] |
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