| Properties | Image |
|---|
| MNX_ID | MNXM109021 |
 |
| reference | chebi:70406 |
| formula | C19H25NO6 |
| global charge | 0 |
| mol weight | 363.41 |
| InChIKey | NBMMUYZDDIKEKL-HPMMXFFJSA-N |
| InChI | InChI=1S/C19H25NO6/c1-10-13-14-12-6-4-8-20(14,22)9-5-7-19(13,25-12)26-16(10)17-15(23-3)11(2)18(21)24-17/h10,12-14H,4-9H2,1-3H3/b17-16-/t10-,12+,13+,14-,19+,20?/m0/s1 |
| SMILES | COC1=C(C)C(=O)O/C1=C1\O[C@@]23CCC[N+]4([O-])CCC[C@@H](O2)[C@H]4[C@H]3[C@@H]1C |
MNX internals
| InChI (mnx) | InChI=1/C19H25NO6/c1-10-13-14-12-6-4-8-20(14,22)9-5-7-19(13,25-12)26-16(10)17-15(23-3)11(2)18(21)24-17/h10,12-14H,4-9H2,1-3H3/b17-16-/t10-,12+,13+,14-,19?,20?/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:10]1[C@@H:13]2[C@@H:14]3[C@H:12]4[CH2:6][CH2:4][CH2:8][N+:20]3([O-:22])[CH2:9][CH2:5][CH2:7][C@@:19]2([O:25]4)[O:26]/[C:16]1=[C:17]1/[C:15]([O:23][CH3:3])=[C:11]([CH3:2])[C:18](=[O:21])[O:24]1 |
|