| Properties | Image |
|---|
| MNX_ID | MNXM133475 |
 |
| reference | hmdb:HMDB0043783 |
| formula | C60H98O6 |
| global charge | 0 |
| mol weight | 915.438 |
| InChIKey | OGCOOPIJCRVCFG-YWJNJSTHSA-N |
| InChI | InChI=1S/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32-33,35-36,39,41,44-45,48,57H,4-6,8-9,11-15,17-18,20-24,29,31,34,37-38,40,42-43,46-47,49-56H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,35-33-,39-36-,44-41-,48-45-/t57-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C60H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32-33,35-36,39,41,44-45,48,57H,4-6,8-9,11-15,17-18,20-24,29,31,34,37-38,40,42-43,46-47,49-56H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,35-33-,39-36-,44-41-,48-45-/t57-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:27]\[CH2:29]/[CH:30]=[CH:32]\[CH2:34]/[CH:36]=[CH:39]\[CH2:42]/[CH:45]=[CH:48]\[CH2:51][CH2:54][C:60](=[O:63])[O:66][C@@H:57]([CH2:55][O:64][C:58]([CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:61])[CH2:56][O:65][C:59]([CH2:53][CH2:50][CH2:47]/[CH:44]=[CH:41]\[CH2:38]/[CH:35]=[CH:33]\[CH2:31]/[CH:28]=[CH:26]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:62] |
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