| Properties | Image |
|---|
| MNX_ID | MNXM954953 |
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| reference | slm:000647338 |
| formula | C69H117NO9P |
| global charge | -1 |
| mol weight | 1135.667 |
| InChIKey | QVMKYBDEYNSBLO-CCNKGVKCSA-M |
| InChI | InChI=1S/C69H118NO9P/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-67(71)70-62-63-77-80(74,75)78-65-66(79-69(73)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)64-76-68(72)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33,36,41,44,50,53,66H,4-6,8-9,11-15,18,21-24,31-32,34-35,37-40,42-43,45-49,51-52,54-65H2,1-3H3,(H,70,71)(H,74,75)/p-1/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,44-41-,53-50-/t66-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C69H118NO9P/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-67(71)70-62-63-77-80(74,75)78-65-66(79-69(73)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)64-76-68(72)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33,36,41,44,50,53,66H,4-6,8-9,11-15,18,21-24,31-32,34-35,37-40,42-43,45-49,51-52,54-65H2,1-3H3,(H,70,71)(H,74,75)/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,44-41-,53-50-/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]\[CH2:31]/[CH:33]=[CH:36]\[CH2:38]/[CH:41]=[CH:44]\[CH2:47]/[CH:50]=[CH:53]\[CH2:56][CH2:59][C:67](=[N:70][CH2:62][CH2:63][O:77][P:80]([OH:74])(=[O:75])[O:78][CH2:65][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][CH2:37][CH2:34][CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:72])[O:79][C:69]([CH2:61][CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:35]/[CH:30]=[CH:27]\[CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:73])[OH:71] |
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