(S)-Edulinine

Properties Image MNX_ID MNXM115455 reference chebi:174088 formula C16H21NO4 global charge 0 mol weight 291.347 InChIKey NHNXJYYEQLVCAZ-UHFFFAOYSA-N InChI InChI=1S/C16H21NO4/c1-16(2,20)13(18)9-11-14(21-4)10-7-5-6-8-12(10)17(3)15(11)19/h5-8,13,18,20H,9H2,1-4H3 SMILES COC1=C(CC(O)C(C)(C)O)C(=O)N(C)C2=C1C=CC=C2 MNX internals InChI (mnx) InChI=1/C16H21NO4/c1-16(2,20)13(18)9-11-14(21-4)10-7-5-6-8-12(10)17(3)15(11)19/h5-8,13,18,20H,9H2,1-4H3/t13? SMILES (mnx) [CH3:1][C:16]([CH3:2])([CH:13]([CH2:9][C:11]1=[C:14]([O:21][CH3:4])[C:10]2=[CH:7][CH:5]=[CH:6][CH:8]=[C:12]2[N:17]([CH3:3])[C:15]1=[O:19])[OH:18])[OH:20]

Parent-child relations graph

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