Nigellicine

Properties Image MNX_ID MNXM128692 reference chebi:168947 formula C13H14N2O3 global charge 0 mol weight 246.266 InChIKey FEJTUHSIRAJLOJ-UHFFFAOYSA-N InChI InChI=1S/C13H14N2O3/c1-8-6-9-11(10(16)7-8)12(13(17)18)15-5-3-2-4-14(9)15/h6-7H,2-5H2,1H3,(H,17,18) SMILES CC1=CC(=O)C2=C(C(=O)O)N3CCCCN3C2=C1 MNX internals InChI (mnx) InChI=1/C13H14N2O3/c1-8-6-9-11(10(16)7-8)12(13(17)18)15-5-3-2-4-14(9)15/h6-7H,2-5H2,1H3,(H,17,18) SMILES (mnx) [CH3:1][C:8]1=[CH:7][C:10](=[O:16])[C:11]2=[C:12]([C:13]([OH:17])=[O:18])[N:15]3[CH2:5][CH2:3][CH2:2][CH2:4][N:14]3[C:9]2=[CH:6]1

Parent-child relations graph

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