| Properties | Image |
|---|
| MNX_ID | MNXM101506 |
 |
| reference | chebi:67508 |
| formula | C21H22N2O5 |
| global charge | 0 |
| mol weight | 382.416 |
| InChIKey | DQZDTIUNCHBKJR-NBSCQXKLSA-N |
| InChI | InChI=1S/C21H22N2O5/c1-3-10-7-23(24)14-6-21-16(23)4-11(10)12(14)8-26-20(21)22-13-5-15-18(28-9-27-15)19(25-2)17(13)21/h3,5,11-12,14,16H,4,6-9H2,1-2H3/b10-3-/t11-,12-,14-,16-,21-,23?/m0/s1 |
| SMILES | C/C=C1/C[N+]2([O-])[C@H]3C[C@@]45C(=NC6=C4C(OC)=C4OCOC4=C6)OC[C@H]3[C@H]1C[C@@H]52 |
MNX internals
| InChI (mnx) | InChI=1/C21H22N2O5/c1-3-10-7-23(24)14-6-21-16(23)4-11(10)12(14)8-26-20(21)22-13-5-15-18(28-9-27-15)19(25-2)17(13)21/h3,5,11-12,14,16H,4,6-9H2,1-2H3/b10-3-/t11-,12-,14-,16-,21-,23?/m0/s1 |
 |
| SMILES (mnx) | [CH3:1]/[CH:3]=[C:10]1/[CH2:7][N+:23]2([O-:24])[C@H:14]3[CH2:6][C@@:21]45[C@@H:16]2[CH2:4][C@@H:11]1[C@@H:12]3[CH2:8][O:26][C:20]4=[N:22][C:13]1=[CH:5][C:15]2=[C:18]([C:19]([O:25][CH3:2])=[C:17]15)[O:28][CH2:9][O:27]2 |
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