| Properties | Image |
|---|
| MNX_ID | MNXM955686 |
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| reference | slm:000648071 |
| formula | C69H115NO9P |
| global charge | -1 |
| mol weight | 1133.651 |
| InChIKey | BTRSYSLKHLWATO-DXAXZORDSA-M |
| InChI | InChI=1S/C69H116NO9P/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-34-35-36-37-40-43-46-49-52-55-58-61-69(73)79-66(64-76-68(72)60-57-54-51-48-45-42-39-27-24-21-18-15-12-9-6-3)65-78-80(74,75)77-63-62-70-67(71)59-56-53-50-47-44-41-38-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-28,30-31,33-34,36-39,45,48,66H,4-6,8-9,11-15,17,20,22-24,29,32,35,40-44,46-47,49-65H2,1-3H3,(H,70,71)(H,74,75)/p-1/b10-7-,19-16-,21-18-,28-25-,31-30-,34-33-,37-36-,38-26-,39-27-,48-45-/t66-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C69H116NO9P/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-34-35-36-37-40-43-46-49-52-55-58-61-69(73)79-66(64-76-68(72)60-57-54-51-48-45-42-39-27-24-21-18-15-12-9-6-3)65-78-80(74,75)77-63-62-70-67(71)59-56-53-50-47-44-41-38-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-28,30-31,33-34,36-39,45,48,66H,4-6,8-9,11-15,17,20,22-24,29,32,35,40-44,46-47,49-65H2,1-3H3,(H,70,71)(H,74,75)/b10-7-,19-16-,21-18-,28-25-,31-30-,34-33-,37-36-,38-26-,39-27-,48-45-/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]\[CH2:29]/[CH:30]=[CH:31]\[CH2:32]/[CH:33]=[CH:34]\[CH2:35]/[CH:36]=[CH:37]\[CH2:40][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]/[CH:48]=[CH:45]\[CH2:42]/[CH:39]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[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:26]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:71] |
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