Aspergillic acid

Properties Image MNX_ID MNXM1108211 reference chebi:2879 formula C12H20N2O2 global charge 0 mol weight 224.304 InChIKey IUZCDJYHMMWBBE-UHFFFAOYSA-N InChI InChI=1S/C12H20N2O2/c1-5-9(4)11-7-13-10(6-8(2)3)12(15)14(11)16/h7-9,16H,5-6H2,1-4H3 SMILES CCC(C)C1=CN=C(CC(C)C)C(=O)N1O MNX internals InChI (mnx) InChI=1/C12H20N2O2/c1-5-9(4)11-7-13-10(6-8(2)3)12(15)14(11)16/h7-9,16H,5-6H2,1-4H3/t9? SMILES (mnx) [CH3:1][CH2:5][CH:9]([CH3:4])[C:11]1=[CH:7][N:13]=[C:10]([CH2:6][CH:8]([CH3:2])[CH3:3])[C:12](=[O:15])[N:14]1[OH:16]

Parent-child relations graph

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