| Properties | Image |
|---|
| MNX_ID | MNXM50012 |
 |
| reference | hmdb:HMDB0007603 |
| formula | C45H82O5 |
| global charge | 0 |
| mol weight | 703.146 |
| InChIKey | HDHFEOBVDRNEJX-HATMGODFSA-N |
| InChI | InChI=1S/C45H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h18,20,26,28,32,34,43,46H,3-17,19,21-25,27,29-31,33,35-42H2,1-2H3/b20-18-,28-26-,34-32-/t43-/m0/s1 |
| SMILES | CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C45H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h18,20,26,28,32,34,43,46H,3-17,19,21-25,27,29-31,33,35-42H2,1-2H3/b20-18-,28-26-,34-32-/t43-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:22][CH2:24][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][C:44](=[O:47])[O:49][CH2:42][C@H:43]([CH2:41][OH:46])[O:50][C:45]([CH2:40][CH2:38][CH2:36]/[CH:34]=[CH:32]\[CH2:30]/[CH:28]=[CH:26]\[CH2:23]/[CH:20]=[CH:18]\[CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:48] |
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