compound 0289879

Properties Image MNX_ID MNXM1138049 reference envipathM:...c61aacd541f5 formula C13H10NO7 global charge -3 mol weight 292.223 InChIKey UFWKGNOGZWTAFS-UHFFFAOYSA-K InChI InChI=1S/C13H13NO7/c1-6-4-3-5-8(12(18)19)9(6)14(7(2)11(16)17)10(15)13(20)21/h3-5,7H,1-2H3,(H,16,17)(H,18,19)(H,20,21)/p-3 SMILES CC1=CC=CC(C(=O)[O-])=C1N(C(=O)C(=O)[O-])C(C)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H13NO7/c1-6-4-3-5-8(12(18)19)9(6)14(7(2)11(16)17)10(15)13(20)21/h3-5,7H,1-2H3,(H,16,17)(H,18,19)(H,20,21)/t7? SMILES (mnx) [CH3:1][C:6]1=[C:9]([N:14]([CH:7]([CH3:2])[C:11](=[O:16])[OH:17])[C:10]([C:13]([OH:20])=[O:21])=[O:15])[C:8]([C:12](=[O:18])[OH:19])=[CH:5][CH:3]=[CH:4]1

Parent-child relations graph

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