| Properties | Image |
|---|
| MNX_ID | MNXM955544 |
 |
| reference | slm:000647929 |
| formula | C69H111NO9P |
| global charge | -1 |
| mol weight | 1129.619 |
| InChIKey | DQMUYEHBXFJYLC-MLDSUEPVSA-M |
| InChI | InChI=1S/C69H112NO9P/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-35-37-40-43-46-49-52-55-58-61-69(73)79-66(64-76-68(72)60-57-54-51-48-45-42-38-27-24-21-18-15-12-9-6-3)65-78-80(74,75)77-63-62-70-67(71)59-56-53-50-47-44-41-39-36-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,31-32,34-35,38-39,41,45,47-48,50,66H,4-6,8-9,11-15,22-24,30,33,36-37,40,42-44,46,49,51-65H2,1-3H3,(H,70,71)(H,74,75)/p-1/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,32-31-,35-34-,38-27-,41-39-,48-45-,50-47-/t66-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C69H112NO9P/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-35-37-40-43-46-49-52-55-58-61-69(73)79-66(64-76-68(72)60-57-54-51-48-45-42-38-27-24-21-18-15-12-9-6-3)65-78-80(74,75)77-63-62-70-67(71)59-56-53-50-47-44-41-39-36-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,31-32,34-35,38-39,41,45,47-48,50,66H,4-6,8-9,11-15,22-24,30,33,36-37,40,42-44,46,49,51-65H2,1-3H3,(H,70,71)(H,74,75)/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,32-31-,35-34-,38-27-,41-39-,48-45-,50-47-/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:31]=[CH:32]\[CH2:33]/[CH:34]=[CH:35]\[CH2:37][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:38]=[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]/[CH:50]=[CH:47]\[CH2:44]/[CH:41]=[CH:39]\[CH2:36]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:71] |
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