| Properties | Image |
|---|
| MNX_ID | MNXM113334 |
 |
| reference | lipidmapsM:LMGL03013142 |
| formula | C62H98O6 |
| global charge | 0 |
| mol weight | 939.46 |
| InChIKey | CBLXJBBTTNMEFF-RDHMUHHZSA-N |
| InChI | InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-30,33-35,37-38,43-44,46-47,59H,4-6,9,12-15,18,21-24,27,31-32,36,39-42,45,48-58H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-30-,37-34-,38-35-,46-43-,47-44-/t59-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC |
MNX internals
| InChI (mnx) | InChI=1/C62H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-30,33-35,37-38,43-44,46-47,59H,4-6,9,12-15,18,21-24,27,31-32,36,39-42,45,48-58H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-30-,37-34-,38-35-,46-43-,47-44-/t59-/m1/s1 |
 |
| 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:34]=[CH:37]\[CH2:40]/[CH:43]=[CH:46]\[CH2:49][CH2:52][CH2:55][C:61](=[O:64])[O:67][CH2:58][C@@H:59]([CH2:57][O:66][C:60]([CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36]/[CH:33]=[CH:30]\[CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:63])[O:68][C:62]([CH2:56][CH2:53][CH2:50]/[CH:47]=[CH:44]\[CH2:41]/[CH:38]=[CH:35]\[CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:65] |
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