narcotine hemiacetal

Properties Image MNX_ID MNXM114535 reference chebi:141667 formula C22H25NO7 global charge 0 mol weight 415.442 InChIKey TZNFGVJRQISOHK-HVHHGIHYSA-N InChI InChI=1S/C22H25NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18,22,24H,7-8,10H2,1-4H3/t17-,18+,22?/m1/s1 SMILES COC1=CC=C2C(=C1OC)C(O)O[C@@H]2[C@H]1C2=C(OC)C3=C(C=C2CCN1C)OCO3 MNX internals InChI (mnx) InChI=1/C22H25NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18,22,24H,7-8,10H2,1-4H3/t17-,18+,22?/m1/s1 SMILES (mnx) [CH3:1][N:23]1[CH2:8][CH2:7][C:11]2=[CH:9][C:14]3=[C:20]([C:21]([O:27][CH3:4])=[C:15]2[C@@H:17]1[C@@H:18]1[C:12]2=[C:16]([C:19]([O:26][CH3:3])=[C:13]([O:25][CH3:2])[CH:6]=[CH:5]2)[CH:22]([OH:24])[O:30]1)[O:29][CH2:10][O:28]3

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0