Octopamine hydrochloride (JAN)

Properties Image MNX_ID MNXM158965 reference keggD:D00178 formula C8H12ClNO2 global charge 0 mol weight 189.642 InChIKey PUMZXCBVHLCWQG-UHFFFAOYSA-N InChI InChI=1S/C8H11NO2.ClH/c9-5-8(11)6-1-3-7(10)4-2-6;/h1-4,8,10-11H,5,9H2;1H SMILES Cl.NCC(O)C1=CC=C(O)C=C1 MNX internals InChI (mnx) InChI=1/C8H11NO2.ClH/c9-5-8(11)6-1-3-7(10)4-2-6;/h1-4,8,10-11H,5,9H2;1H/t8?; SMILES (mnx) [CH:1]1=[CH:3][C:7]([OH:10])=[CH:4][CH:2]=[C:6]1[CH:8]([CH2:5][NH2:9])[OH:11].[ClH:12]

Parent-child relations graph

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