compound 0073663

Properties Image MNX_ID MNXM1138470 reference envipathM:...d55d01712c88 formula C12H10NO5 global charge -1 mol weight 248.214 InChIKey RQKPKKYMGAHUTG-UHFFFAOYSA-M InChI InChI=1S/C12H11NO5/c1-2-12(18,10(15)11(16)17)9(14)7-3-5-8(13)6-4-7/h2-6,18H,1,13H2,(H,16,17)/p-1 SMILES C=CC(O)(C(=O)C(=O)[O-])C(=O)C1=CC=C(N)C=C1 MNX internals InChI (mnx) InChI=1/C12H11NO5/c1-2-12(18,10(15)11(16)17)9(14)7-3-5-8(13)6-4-7/h2-6,18H,1,13H2,(H,16,17)/t12? SMILES (mnx) [CH2:1]=[CH:2][C:12]([C:9]([C:7]1=[CH:4][CH:6]=[C:8]([NH2:13])[CH:5]=[CH:3]1)=[O:14])([C:10]([C:11]([OH:16])=[O:17])=[O:15])[OH:18]

Parent-child relations graph

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