| Properties | Image |
|---|
| MNX_ID | MNXM105897 |
 |
| reference | chebi:66124 |
| formula | C22H26N2O5 |
| global charge | 0 |
| mol weight | 398.459 |
| InChIKey | LZVMXRSCSWSPDH-MVWVFHAYSA-N |
| InChI | InChI=1S/C22H26N2O5/c1-27-16-10-14-13(9-15(16)25)22-4-7-24-6-3-17-21(20(22)24,5-8-29-17)11-12(18(22)23-14)19(26)28-2/h9-10,17,20,23,25H,3-8,11H2,1-2H3/t17-,20-,21+,22-/m0/s1 |
| SMILES | COC(=O)C1=C2NC3=CC(OC)=C(O)C=C3[C@@]23CCN2CC[C@@H]4OCC[C@]4(C1)[C@H]23 |
MNX internals
| InChI (mnx) | InChI=1/C22H26N2O5/c1-27-16-10-14-13(9-15(16)25)22-4-7-24-6-3-17-21(20(22)24,5-8-29-17)11-12(18(22)23-14)19(26)28-2/h9-10,17,20,23,25H,3-8,11H2,1-2H3/t17-,20-,21+,22-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][O:27][C:16]1=[C:15]([OH:25])[CH:9]=[C:13]2[C:14](=[CH:10]1)[NH:23][C:18]1=[C:12]([C:19](=[O:26])[O:28][CH3:2])[CH2:11][C@:21]34[CH2:5][CH2:8][O:29][C@H:17]3[CH2:3][CH2:6][N:24]3[CH2:7][CH2:4][C@:22]21[C@H:20]43 |
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