| Properties | Image |
|---|
| MNX_ID | MNXM111273 |
 |
| reference | lipidmapsM:LMGL03014966 |
| formula | C61H104O6 |
| global charge | 0 |
| mol weight | 933.497 |
| InChIKey | BUFDFYPZVFHGTC-XMWKLSFYSA-N |
| InChI | InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29-32,36,39,58H,4-6,8-9,11-14,17,20-23,25,27-28,33-35,37-38,40-57H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,31-29-,32-30-,39-36-/t58-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCC)OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29-32,36,39,58H,4-6,8-9,11-14,17,20-23,25,27-28,33-35,37-38,40-57H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,31-29-,32-30-,39-36-/t58-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:28]/[CH:30]=[CH:32]\[CH2:34]/[CH:36]=[CH:39]\[CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][C:60](=[O:63])[O:66][CH2:57][C@@H:58]([CH2:56][O:65][C:59]([CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:21]/[CH:18]=[CH:15]\[CH2:12][CH2:9][CH2:6][CH3:3])=[O:62])[O:67][C:61]([CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:35][CH2:33]/[CH:31]=[CH:29]\[CH2:27][CH2:25][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:64] |
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