pyrroloquinoline quinol

Properties Image MNX_ID MNXM765 reference chebi:77660 formula C14H4N2O8 global charge -4 mol weight 328.192 InChIKey QZMUBZJJJKIXKV-UHFFFAOYSA-J 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/h1-2,15,17-18H,(H,19,20)(H,21,22)(H,23,24)/p-4 SMILES O=C([O-])C1=CC2=C(O)C([O-])=C3N=C(C(=O)[O-])C=C(C(=O)[O-])C3=C2N1 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/h1-2,15,17-18H,(H,19,20)(H,21,22)(H,23,24) SMILES (mnx) [CH:1]1=[C:3]([C:12](=[O:19])[OH:20])[C:7]2=[C:8]3[C:4](=[C:10]([OH:17])[C:11]([OH:18])=[C:9]2[N:16]=[C:5]1[C:13]([OH:21])=[O:22])[CH:2]=[C:6]([C:14]([OH:23])=[O:24])[NH:15]3

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 25 in models (compartimentalized) 14