| Properties | Image |
|---|
| MNX_ID | MNXM954356 |
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| reference | slm:000646741 |
| formula | C69H119NO9P |
| global charge | -1 |
| mol weight | 1137.683 |
| InChIKey | VBWVCCRLEOQKJW-BQKGWVEHSA-M |
| InChI | InChI=1S/C69H120NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-69(73)79-66(64-76-68(72)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2)65-78-80(74,75)77-63-62-70-67(71)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-29,32-33,37-38,40,66H,4-6,8-9,11-15,18,21-24,30-31,34-36,39,41-65H2,1-3H3,(H,70,71)(H,74,75)/p-1/b10-7-,19-16-,20-17-,28-25-,29-26-,33-32-,38-27-,40-37-/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)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C69H120NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-69(73)79-66(64-76-68(72)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2)65-78-80(74,75)77-63-62-70-67(71)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-29,32-33,37-38,40,66H,4-6,8-9,11-15,18,21-24,30-31,34-36,39,41-65H2,1-3H3,(H,70,71)(H,74,75)/b10-7-,19-16-,20-17-,28-25-,29-26-,33-32-,38-27-,40-37-/t66-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:30]/[CH:32]=[CH:33]\[CH2:35]/[CH:37]=[CH:40]\[CH2:43][CH2:46][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][CH2:45][CH2:42][CH2:39][CH2:36][CH2:34][CH2:31]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[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][CH2:47][CH2:44][CH2:41]/[CH:38]=[CH:27]\[CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:71] |
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