| Properties | Image | Occurences in reactions |
MNX_ID | MNXM104799 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 0 |
in models (compartimentalized) |
0 |
|
formula | C18H27ClO3 |
charge | 0 |
mass | 326.16487 |
reference | lipidmapsM:LMFA03120052 |
InChIKey | BUSAMCWWFKPNGV-SOVGUPCDSA-N |
InChI | InChI=1S/C18H27ClO3/c1-2-15(19)14-12-16-18(22-16)13(14)10-8-6-4-3-5-7-9-11-17(20)21/h3-4,8,10,13-16,18H,2,5-7,9,11-12H2,1H3,(H,20,21)/b4-3-,10-8-/t13-,14+,15-,16-,18+/m0/s1 |
SMILES | CC[C@H](Cl)[C@@H]1C[C@@H]2O[C@@H]2[C@H]1/C=C\C/C=C\CCCCC(=O)O |
|