| Properties | Image |
|---|
| MNX_ID | MNXM137176 |
 |
| reference | hmdb:HMDB0052588 |
| formula | C63H102O6 |
| global charge | 0 |
| mol weight | 955.503 |
| InChIKey | HNDHOYSSWMWISN-HWBKHRQFSA-N |
| InChI | InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,31,33-34,36,38-39,41,45,48,60H,4-6,8-9,11-15,17,20,22-24,30,32,35,37,40,42-44,46-47,49-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,48-45-/t60-/m0/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\C/C=C\CCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,31,33-34,36,38-39,41,45,48,60H,4-6,8-9,11-15,17,20,22-24,30,32,35,37,40,42-44,46-47,49-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,48-45-/t60-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:30]/[CH:31]=[CH:33]\[CH2:35]/[CH:38]=[CH:41]\[CH2:44][CH2:47][CH2:50][CH2:53][CH2:56][C:62](=[O:65])[O:68][CH2:59][C@H:60]([CH2:58][O:67][C:61]([CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37]/[CH:34]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:64])[O:69][C:63]([CH2:57][CH2:54][CH2:51]/[CH:48]=[CH:45]\[CH2:42]/[CH:39]=[CH:36]\[CH2:32]/[CH:29]=[CH:26]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:66] |
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