| Properties | Image |
|---|
| MNX_ID | MNXM105324 |
 |
| reference | chebi:67515 |
| formula | C22H24N2O5 |
| global charge | 0 |
| mol weight | 396.443 |
| InChIKey | WMCCCBHUPACQNU-ZBSVUBPESA-N |
| InChI | InChI=1S/C22H24N2O5/c1-25-4-3-11-8-24-15-7-22-17(24)5-12(11)13(15)9-27-21(22)23-14-6-16-19(29-10-28-16)20(26-2)18(14)22/h3,6,12-13,15,17H,4-5,7-10H2,1-2H3/b11-3+/t12-,13-,15-,17-,22-/m0/s1 |
| SMILES | COC/C=C1\CN2[C@H]3C[C@@H]1[C@@H]1COC4=NC5=C(C(OC)=C6OCOC6=C5)[C@@]43C[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C22H24N2O5/c1-25-4-3-11-8-24-15-7-22-17(24)5-12(11)13(15)9-27-21(22)23-14-6-16-19(29-10-28-16)20(26-2)18(14)22/h3,6,12-13,15,17H,4-5,7-10H2,1-2H3/b11-3+/t12-,13-,15-,17-,22-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][O:25][CH2:4]/[CH:3]=[C:11]1\[CH2:8][N:24]2[C@H:15]3[CH2:7][C@@:22]45[C@@H:17]2[CH2:5][C@@H:12]1[C@@H:13]3[CH2:9][O:27][C:21]4=[N:23][C:14]1=[CH:6][C:16]2=[C:19]([C:20]([O:26][CH3:2])=[C:18]15)[O:29][CH2:10][O:28]2 |
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