| Properties | Image |
|---|
| MNX_ID | MNXM965872 |
 |
| reference | slm:000658257 |
| formula | C65H113NO9P |
| global charge | -1 |
| mol weight | 1083.591 |
| InChIKey | SPEWUNQZKKKWLN-OSEPXRCYSA-M |
| InChI | InChI=1S/C65H114NO9P/c1-4-7-10-13-16-18-20-22-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-48-50-53-56-64(68)72-60-62(75-65(69)57-54-51-46-15-12-9-6-3)61-74-76(70,71)73-59-58-66-63(67)55-52-49-47-44-42-40-38-23-21-19-17-14-11-8-5-2/h8,11,16-19,22-24,26-27,29-30,38,62H,4-7,9-10,12-15,20-21,25,28,31-37,39-61H2,1-3H3,(H,66,67)(H,70,71)/p-1/b11-8-,18-16-,19-17-,24-22-,27-26-,30-29-,38-23-/t62-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C65H114NO9P/c1-4-7-10-13-16-18-20-22-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-48-50-53-56-64(68)72-60-62(75-65(69)57-54-51-46-15-12-9-6-3)61-74-76(70,71)73-59-58-66-63(67)55-52-49-47-44-42-40-38-23-21-19-17-14-11-8-5-2/h8,11,16-19,22-24,26-27,29-30,38,62H,4-7,9-10,12-15,20-21,25,28,31-37,39-61H2,1-3H3,(H,66,67)(H,70,71)/b11-8-,18-16-,19-17-,24-22-,27-26-,30-29-,38-23-/t62-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:18]\[CH2:20]/[CH:22]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28]/[CH:29]=[CH:30]\[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:48][CH2:50][CH2:53][CH2:56][C:64](=[O:68])[O:72][CH2:60][C@H:62]([CH2:61][O:74][P:76]([OH:70])(=[O:71])[O:73][CH2:59][CH2:58][N:66]=[C:63]([CH2:55][CH2:52][CH2:49][CH2:47][CH2:44][CH2:42][CH2:40]/[CH:38]=[CH:23]\[CH2:21]/[CH:19]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])[OH:67])[O:75][C:65]([CH2:57][CH2:54][CH2:51][CH2:46][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:69] |
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