| Properties | Image |
|---|
| MNX_ID | MNXM104087 |
 |
| reference | chebi:68313 |
| formula | C18H20F3NO7 |
| global charge | 0 |
| mol weight | 419.352 |
| InChIKey | UBPSZAPZJVBEAU-CHIYLFTISA-N |
| InChI | InChI=1S/C16H19NO5.C2HF3O2/c18-11-1-2-16(20)15(14(11)19)3-4-17(16)7-9-5-12-13(6-10(9)15)22-8-21-12;3-2(4,5)1(6)7/h5-6,11,14,18-20H,1-4,7-8H2;(H,6,7)/t11-,14-,15+,16-;/m0./s1 |
| SMILES | O=C(O)C(F)(F)F.O[C@H]1CC[C@@]2(O)N3CC[C@@]2(C2=C(C=C4OCOC4=C2)C3)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C16H19NO5.C2HF3O2/c18-11-1-2-16(20)15(14(11)19)3-4-17(16)7-9-5-12-13(6-10(9)15)22-8-21-12;3-2(4,5)1(6)7/h5-6,11,14,18-20H,1-4,7-8H2;(H,6,7)/t11-,14-,15+,16-;/m0./s1 |
 |
| SMILES (mnx) | [C:23]([C:24]([F:25])([F:26])[F:27])(=[O:28])[OH:29].[CH2:1]1[CH2:2][C@:16]2([OH:20])[C@@:15]3([CH2:3][CH2:4][N:17]2[CH2:7][C:9]2=[CH:5][C:12]4=[C:13]([CH:6]=[C:10]23)[O:22][CH2:8][O:21]4)[C@@H:14]([OH:19])[C@H:11]1[OH:18] |
|