Anhalonidine

Properties Image MNX_ID MNXM7069 reference chebi:80669 formula C12H17NO3 global charge 0 mol weight 223.272 InChIKey PRNZAMQMBOFSJY-UHFFFAOYSA-N InChI InChI=1S/C12H17NO3/c1-7-10-8(4-5-13-7)6-9(15-2)12(16-3)11(10)14/h6-7,13-14H,4-5H2,1-3H3 SMILES COC1=C(OC)C(O)=C2C(=C1)CCNC2C MNX internals InChI (mnx) InChI=1/C12H17NO3/c1-7-10-8(4-5-13-7)6-9(15-2)12(16-3)11(10)14/h6-7,13-14H,4-5H2,1-3H3/t7? SMILES (mnx) [CH3:1][CH:7]1[C:10]2=[C:11]([OH:14])[C:12]([O:16][CH3:3])=[C:9]([O:15][CH3:2])[CH:6]=[C:8]2[CH2:4][CH2:5][NH:13]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0