compound 0225814

Properties Image MNX_ID MNXM1192405 reference envipathM:...dc0f6ed32629 formula C13H12NO5 global charge -1 mol weight 262.241 InChIKey PKAIVVUASWUJDV-UHFFFAOYSA-M InChI InChI=1S/C13H13NO5/c14-9(12(17)13(18)19)11(16)8-5-6-3-1-2-4-7(6)10(8)15/h1-4,8-9,11,16H,5,14H2,(H,18,19)/p-1 SMILES NC(C(=O)C(=O)[O-])C(O)C1CC2=C(C=CC=C2)C1=O MNX internals InChI (mnx) InChI=1/C13H13NO5/c14-9(12(17)13(18)19)11(16)8-5-6-3-1-2-4-7(6)10(8)15/h1-4,8-9,11,16H,5,14H2,(H,18,19)/t8?,9?,11? SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:7]2[C:6](=[CH:3]1)[CH2:5][CH:8]([CH:11]([CH:9]([C:12]([C:13]([OH:18])=[O:19])=[O:17])[NH2:14])[OH:16])[C:10]2=[O:15]

Parent-child relations graph

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