compound 0052258

Properties Image MNX_ID MNXM1192288 reference envipathM:...a647acfc86b9 formula C11H13NO6 global charge 0 mol weight 255.226 InChIKey BFFQSIVRSNFQGJ-UHFFFAOYSA-N InChI InChI=1S/C11H13NO6/c1-5(2)11(17)18-12-10(16)7-3-6(13)4-8(14)9(7)15/h3-5,13-15H,1-2H3,(H,12,16) SMILES CC(C)C(=O)ONC(=O)C1=CC(O)=CC(O)=C1O MNX internals InChI (mnx) InChI=1/C11H13NO6/c1-5(2)11(17)18-12-10(16)7-3-6(13)4-8(14)9(7)15/h3-5,13-15H,1-2H3,(H,12,16) SMILES (mnx) [CH3:1][CH:5]([CH3:2])[C:11](=[O:17])[O:18][N:12]=[C:10]([C:7]1=[C:9]([OH:15])[C:8]([OH:14])=[CH:4][C:6]([OH:13])=[CH:3]1)[OH:16]

Parent-child relations graph

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