| Properties | Image |
|---|
| MNX_ID | MNXM140314 |
 |
| reference | hmdb:HMDB0051251 |
| formula | C63H102O6 |
| global charge | 0 |
| mol weight | 955.503 |
| InChIKey | UYVKSOXJHUKFRF-OLSPFBNXSA-N |
| InChI | InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,31,33-35,38-40,42-44,47,60H,4-15,17,20,22-24,30,32,36-37,41,45-46,48-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-,47-44-/t60-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@@H](COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,31,33-35,38-40,42-44,47,60H,4-15,17,20,22-24,30,32,36-37,41,45-46,48-59H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-,47-44-/t60-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:30]/[CH:31]=[CH:33]\[CH2:36]/[CH:39]=[CH:42]\[CH2:45][CH2:48][CH2:51][CH2:54][CH2:57][C:63](=[O:66])[O:69][C@H:60]([CH2:58][O:67][C:61]([CH2:55][CH2:52][CH2:49][CH2:46]/[CH:43]=[CH: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])[CH2:59][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][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:65] |
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