bruceolline L

Properties Image MNX_ID MNXM103303 reference chebi:68923 formula C13H15NO2 global charge 0 mol weight 217.268 InChIKey WSNIHKDHYATUSE-GFCCVEGCSA-N InChI InChI=1S/C13H15NO2/c1-8(2)12(15)13(16)10-7-14-11-6-4-3-5-9(10)11/h3-8,12,14-15H,1-2H3/t12-/m1/s1 SMILES CC(C)[C@@H](O)C(=O)C1=CNC2=CC=CC=C21 MNX internals InChI (mnx) InChI=1/C13H15NO2/c1-8(2)12(15)13(16)10-7-14-11-6-4-3-5-9(10)11/h3-8,12,14-15H,1-2H3/t12-/m1/s1 SMILES (mnx) [CH3:1][CH:8]([CH3:2])[C@H:12]([C:13]([C:10]1=[CH:7][NH:14][C:11]2=[CH:6][CH:4]=[CH:3][CH:5]=[C:9]12)=[O:16])[OH:15]

Parent-child relations graph

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