Dopachrome o-semiquinone

Properties Image MNX_ID MNXM737524 reference biggM:CE5278 formula C9H6NO4 global charge -2 mol weight 192.15 InChIKey YHAPBGUGQAHLME-ZCFIWIBFSA-L InChI InChI=1S/C9H8NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h2-3,6,10,12H,1H2,(H,13,14)/p-2/t6-/m1/s1 SMILES [O]C1=CC2=C(C=C1[O-])N[C@@H](C(=O)[O-])C2 MNX internals InChI (mnx) InChI=1/C9H8NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h2-3,6,10,12H,1H2,(H,13,14)/t6-/m1/s1 SMILES (mnx) [CH2:1]1[C:4]2=[CH:2][C:7]([O:11])=[C:8]([OH:12])[CH:3]=[C:5]2[NH:10][C@H:6]1[C:9](=[O:13])[OH:14]

Parent-child relations graph

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