Alkaloid AQC2

Properties Image MNX_ID MNXM118918 reference chebi:174384 formula C19H22N2O3 global charge 0 mol weight 326.396 InChIKey YUPRHHFLOLUPFG-UHFFFAOYSA-N InChI InChI=1S/C19H22N2O3/c1-2-19-8-7-15-13(12-5-3-4-6-14(12)21-15)9-17(22)24-16(10-19)18(23)20-11-19/h3-6,16,21H,2,7-11H2,1H3,(H,20,23) SMILES CCC12CCC3=C(CC(=O)OC(C1)C(=O)NC2)C1=C(C=CC=C1)N3 MNX internals InChI (mnx) InChI=1/C19H22N2O3/c1-2-19-8-7-15-13(12-5-3-4-6-14(12)21-15)9-17(22)24-16(10-19)18(23)20-11-19/h3-6,16,21H,2,7-11H2,1H3,(H,20,23)/t16?,19? SMILES (mnx) [CH3:1][CH2:2][C:19]12[CH2:8][CH2:7][C:15]3=[C:13]([CH2:9][C:17](=[O:22])[O:24][CH:16]([CH2:10]1)[C:18]([OH:23])=[N:20][CH2:11]2)[C:12]1=[CH:5][CH:3]=[CH:4][CH:6]=[C:14]1[NH:21]3

Parent-child relations graph

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