| Properties | Image | Occurences in reactions |
MNX_ID | MNXM105181 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 0 |
in models (compartimentalized) |
0 |
|
formula | C23H28F3NaO6 |
charge | 0 |
mass | 480.17357 |
reference | keggD:D02728 |
InChIKey | MUVLUMTZYKYXRV-CAXRJTGMSA-M |
InChI | InChI=1S/C23H29F3O6.Na/c24-23(25,26)15-6-5-7-17(12-15)32-14-16(27)10-11-19-18(20(28)13-21(19)29)8-3-1-2-4-9-22(30)31;/h1,3,5-7,10-12,16,18-21,27-29H,2,4,8-9,13-14H2,(H,30,31);/q;+1/p-1/b3-1-,11-10+;/t16-,18-,19-,20+,21-;/m0./s1 |
SMILES | O=C([O-])CCC/C=C\C[C@H]1[C@H](/C=C/[C@H](O)COc2cccc(C(F)(F)F)c2)[C@@H](O)C[C@H]1O.[Na+] |
|