Skimmianine

Properties Image MNX_ID MNXM12944 reference chebi:9172 formula C14H13NO4 global charge 0 mol weight 259.261 InChIKey SLSIBLKBHNKZTB-UHFFFAOYSA-N InChI InChI=1S/C14H13NO4/c1-16-10-5-4-8-11(13(10)18-3)15-14-9(6-7-19-14)12(8)17-2/h4-7H,1-3H3 SMILES COC1=C(OC)C2=C(C=C1)C(OC)=C1C=COC1=N2 MNX internals InChI (mnx) InChI=1/C14H13NO4/c1-16-10-5-4-8-11(13(10)18-3)15-14-9(6-7-19-14)12(8)17-2/h4-7H,1-3H3 SMILES (mnx) [CH3:1][O:16][C:10]1=[C:13]([O:18][CH3:3])[C:11]2=[C:8]([CH:4]=[CH:5]1)[C:12]([O:17][CH3:2])=[C:9]1[CH:6]=[CH:7][O:19][C:14]1=[N:15]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0