2,4,6-tricarboxylic-pyrrolo[2,3-5,6]quinoline 8,9-quinone

Properties Image MNX_ID MNXM468671 reference seedM:cpd24759 formula C14H5N2O8 global charge -3 mol weight 329.2 InChIKey OXKICPFMIQVYCB-UHFFFAOYSA-K InChI InChI=1S/C14H8N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h2-3,15H,1H2,(H,19,20)(H,21,22)(H,23,24)/p-3 SMILES O=C([O-])C1=CC2=C(N1)C1=C(N=C(C(=O)[O-])CC1C(=O)[O-])C(=O)C2=O MNX internals InChI (mnx) InChI=1/C14H8N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h2-3,15H,1H2,(H,19,20)(H,21,22)(H,23,24)/t3? SMILES (mnx) [CH2:1]1[CH:3]([C:12](=[O:19])[OH:20])[C:7]2=[C:9]([C:11](=[O:18])[C:10](=[O:17])[C:4]3=[C:8]2[NH:15][C:6]([C:14]([OH:23])=[O:24])=[CH:2]3)[N:16]=[C:5]1[C:13]([OH:21])=[O:22]

Parent-child relations graph

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