Salsolinol 1-carboxylate

Properties Image MNX_ID MNXM81437 reference chebi:179177 formula C11H13NO4 global charge 0 mol weight 223.228 InChIKey XHGLVMDBZZZXDP-NSHDSACASA-N InChI InChI=1S/C11H13NO4/c1-11(10(15)16)7-5-9(14)8(13)4-6(7)2-3-12-11/h4-5,12-14H,2-3H2,1H3,(H,15,16)/t11-/m0/s1 SMILES C[C@]1(C(=O)O)NCCC2=C1C=C(O)C(O)=C2 MNX internals InChI (mnx) InChI=1/C11H13NO4/c1-11(10(15)16)7-5-9(14)8(13)4-6(7)2-3-12-11/h4-5,12-14H,2-3H2,1H3,(H,15,16)/t11-/m0/s1 SMILES (mnx) [CH3:1][C@@:11]1([C:10](=[O:15])[OH:16])[C:7]2=[CH:5][C:9]([OH:14])=[C:8]([OH:13])[CH:4]=[C:6]2[CH2:2][CH2:3][NH:12]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 3