| Properties | Image |
|---|
| MNX_ID | MNXM140271 |
 |
| reference | hmdb:HMDB0050968 |
| formula | C67H116O6 |
| global charge | 0 |
| mol weight | 1017.659 |
| InChIKey | OLBVRMTVXKHWNH-JPDGSTHDSA-N |
| InChI | InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,33,36,38,41-42,45,47,50,64H,4-15,17-18,20-24,26,29,31-32,34-35,37,39-40,43-44,46,48-49,51-63H2,1-3H3/b19-16-,28-25-,30-27-,36-33-,41-38-,45-42-,50-47-/t64-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,30,33,36,38,41-42,45,47,50,64H,4-15,17-18,20-24,26,29,31-32,34-35,37,39-40,43-44,46,48-49,51-63H2,1-3H3/b19-16-,28-25-,30-27-,36-33-,41-38-,45-42-,50-47-/t64-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:31]/[CH:33]=[CH:36]\[CH2:39]/[CH:42]=[CH:45]\[CH2:48][CH2:51][CH2:54][CH2:57][CH2:60][C:66](=[O:69])[O:72][CH2:63][C@H:64]([CH2:62][O:71][C:65]([CH2:59][CH2:56][CH2:53]/[CH:50]=[CH:47]\[CH2:44]/[CH:41]=[CH:38]\[CH2:35]/[CH:30]=[CH:27]\[CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:68])[O:73][C:67]([CH2:61][CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:32][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:70] |
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