compound 0042613

Properties Image MNX_ID MNXM165669 reference envipathM:...fe2af7455ec7 formula C9H8NO3 global charge -1 mol weight 178.167 InChIKey FFSGLKWXIJLRST-UHFFFAOYSA-M InChI InChI=1S/C9H9NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7H,10H2,(H,12,13)/p-1 SMILES NC(C(=O)[O-])C(=O)C1=CC=CC=C1 MNX internals InChI (mnx) InChI=1/C9H9NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7H,10H2,(H,12,13)/t7? SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:6]([C:8]([CH:7]([C:9](=[O:12])[OH:13])[NH2:10])=[O:11])[CH:5]=[CH:3]1

Parent-child relations graph

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