| Properties | Image |
|---|
| MNX_ID | MNXM132063 |
 |
| reference | hmdb:HMDB0047890 |
| formula | C51H88O6 |
| global charge | 0 |
| mol weight | 797.259 |
| InChIKey | ZZEWCYWYWHLRDC-WBAVZLKMSA-N |
| InChI | InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h14-15,17-18,23-24,26-27,32,35,48H,4-13,16,19-22,25,28-31,33-34,36-47H2,1-3H3/b17-14-,18-15-,24-23-,27-26-,35-32-/t48-/m0/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCC |
MNX internals
| InChI (mnx) | InChI=1/C51H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h14-15,17-18,23-24,26-27,32,35,48H,4-13,16,19-22,25,28-31,33-34,36-47H2,1-3H3/b17-14-,18-15-,24-23-,27-26-,35-32-/t48-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:30]/[CH:32]=[CH:35]\[CH2:38][CH2:41][CH2:44][C:50](=[O:53])[O:56][CH2:47][C@H:48]([CH2:46][O:55][C:49]([CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:28][CH2:20]/[CH:17]=[CH:14]\[CH2:11][CH2:8][CH2:5][CH3:2])=[O:52])[O:57][C:51]([CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:29][CH2:21]/[CH:18]=[CH:15]\[CH2:12][CH2:9][CH2:6][CH3:3])=[O:54] |
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