pyrroloquinoline semiquinone

Properties Image MNX_ID MNXM1112398 reference chebi:48452 formula C14H7N2O8 global charge 0 mol weight 331.216 InChIKey VKRODJWIGYCXIB-UHFFFAOYSA-N InChI InChI=1S/C14H7N2O8/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/h1-2,15,18H,(H,19,20)(H,21,22)(H,23,24) SMILES [O]C1=C2C=C(C(=O)O)NC2=C2C(C(=O)O)=CC(C(=O)O)=NC2=C1O MNX internals InChI (mnx) InChI=1/C14H7N2O8/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/h1-2,15,18H,(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](=[CH:2][C:6]([C:14]([OH:23])=[O:24])[NH:15]3)[C:10](=[O:17])[C:11]([OH:18])=[C:9]2[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