| Properties | Image |
|---|
| MNX_ID | MNXM961430 |
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| reference | slm:000653815 |
| formula | C69H117NO9P |
| global charge | -1 |
| mol weight | 1135.667 |
| InChIKey | HNWJSENMIITRCQ-DELCZEGZSA-M |
| InChI | InChI=1S/C69H118NO9P/c1-4-7-10-13-16-19-21-23-25-27-29-31-32-33-34-36-38-40-42-44-46-49-52-55-58-61-69(73)79-66(65-78-80(74,75)77-63-62-70-67(71)59-56-53-50-47-18-15-12-9-6-3)64-76-68(72)60-57-54-51-48-45-43-41-39-37-35-30-28-26-24-22-20-17-14-11-8-5-2/h7,10,16-17,19-20,23-26,29-31,33-35,39,41,66H,4-6,8-9,11-15,18,21-22,27-28,32,36-38,40,42-65H2,1-3H3,(H,70,71)(H,74,75)/p-1/b10-7-,19-16-,20-17-,25-23-,26-24-,31-29-,34-33-,35-30-,41-39-/t66-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C69H118NO9P/c1-4-7-10-13-16-19-21-23-25-27-29-31-32-33-34-36-38-40-42-44-46-49-52-55-58-61-69(73)79-66(65-78-80(74,75)77-63-62-70-67(71)59-56-53-50-47-18-15-12-9-6-3)64-76-68(72)60-57-54-51-48-45-43-41-39-37-35-30-28-26-24-22-20-17-14-11-8-5-2/h7,10,16-17,19-20,23-26,29-31,33-35,39,41,66H,4-6,8-9,11-15,18,21-22,27-28,32,36-38,40,42-65H2,1-3H3,(H,70,71)(H,74,75)/b10-7-,19-16-,20-17-,25-23-,26-24-,31-29-,34-33-,35-30-,41-39-/t66-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:29]=[CH:31]\[CH2:32]/[CH:33]=[CH:34]\[CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][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][CH2:43]/[CH:41]=[CH:39]\[CH2:37]/[CH:35]=[CH:30]\[CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[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][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:71] |
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