compound 0074231

Properties Image MNX_ID MNXM1194822 reference envipathM:...b8ae9dfa0615 formula C12H12NO5 global charge -1 mol weight 250.23 InChIKey GWAFSKKYNHWBRC-UHFFFAOYSA-M InChI InChI=1S/C12H13NO5/c1-6(14)9(11(16)12(17)18)10(15)7-2-4-8(13)5-3-7/h2-5,9-10,15H,13H2,1H3,(H,17,18)/p-1 SMILES CC(=O)C(C(=O)C(=O)[O-])C(O)C1=CC=C(N)C=C1 MNX internals InChI (mnx) InChI=1/C12H13NO5/c1-6(14)9(11(16)12(17)18)10(15)7-2-4-8(13)5-3-7/h2-5,9-10,15H,13H2,1H3,(H,17,18)/t9?,10? SMILES (mnx) [CH3:1][C:6]([CH:9]([CH:10]([C:7]1=[CH:3][CH:5]=[C:8]([NH2:13])[CH:4]=[CH:2]1)[OH:15])[C:11]([C:12]([OH:17])=[O:18])=[O:16])=[O:14]

Parent-child relations graph

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