bruceolline J

Properties Image MNX_ID MNXM103301 reference chebi:68921 formula C13H13NO2 global charge 0 mol weight 215.252 InChIKey QLFDLIVQYIHVGJ-LBPRGKRZSA-N InChI InChI=1S/C13H13NO2/c1-13(2)11-9(10(15)12(13)16)7-5-3-4-6-8(7)14-11/h3-6,12,14,16H,1-2H3/t12-/m0/s1 SMILES CC1(C)C2=C(C(=O)[C@@H]1O)C1=CC=CC=C1N2 MNX internals InChI (mnx) InChI=1/C13H13NO2/c1-13(2)11-9(10(15)12(13)16)7-5-3-4-6-8(7)14-11/h3-6,12,14,16H,1-2H3/t12-/m0/s1 SMILES (mnx) [CH3:1][C:13]1([CH3:2])[C:11]2=[C:9]([C:7]3=[CH:5][CH:3]=[CH:4][CH:6]=[C:8]3[NH:14]2)[C:10](=[O:15])[C@@H:12]1[OH:16]

Parent-child relations graph

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