trans-3-hydroxycotinine

Properties Image MNX_ID MNXM56870 reference chebi:71182 formula C10H12N2O2 global charge 0 mol weight 192.218 InChIKey XOKCJXZZNAUIQN-DTWKUNHWSA-N InChI InChI=1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3/t8-,9+/m0/s1 SMILES CN1C(=O)[C@H](O)C[C@H]1C1=CN=CC=C1 MNX internals InChI (mnx) InChI=1/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3/t8-,9+/m0/s1 SMILES (mnx) [CH3:1][N:12]1[C@H:8]([C:7]2=[CH:6][N:11]=[CH:4][CH:2]=[CH:3]2)[CH2:5][C@@H:9]([OH:13])[C:10]1=[O:14]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0