| Properties | Image |
|---|
| MNX_ID | MNXM140022 |
 |
| reference | hmdb:HMDB0051047 |
| formula | C63H102O6 |
| global charge | 0 |
| mol weight | 955.503 |
| InChIKey | YTJVEHDHQJQWGG-JWYHTXHQSA-N |
| InChI | InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,31,33,35,37-38,41,43,46-47,50,60H,4-6,8-9,11-15,17-18,20,22-23,27,30,32,34,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-,50-47-/t60-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,31,33,35,37-38,41,43,46-47,50,60H,4-6,8-9,11-15,17-18,20,22-23,27,30,32,34,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-,50-47-/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]\[CH2:36]/[CH:38]=[CH:41]\[CH2:44]/[CH:47]=[CH: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]/[CH:46]=[CH:43]\[CH2:40]/[CH:37]=[CH:35]\[CH2:32]/[CH:29]=[CH:26]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:64])[O:69][C:63]([CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:34][CH2:27]/[CH:24]=[CH:21]\[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:66] |
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