fumisoquin C

Properties Image MNX_ID MNXM1128618 reference chebi:167201 formula C13H9N2O6 global charge -1 mol weight 289.223 InChIKey OXRREVNRXZHHAX-FSPLSTOPSA-M InChI InChI=1S/C13H10N2O6/c16-6-2-8(18)12(19)4-3-14-10-7(17)1-5(13(20)21)15-11(10)9(4)6/h2-3,5,7,15,17-18H,1H2,(H,20,21)/p-1/t5-,7-/m0/s1 SMILES O=C1C=C(O)C(=O)C2=CN=C3C(=C12)N[C@H](C(=O)[O-])C[C@@H]3O MNX internals InChI (mnx) InChI=1/C13H10N2O6/c16-6-2-8(18)12(19)4-3-14-10-7(17)1-5(13(20)21)15-11(10)9(4)6/h2-3,5,7,15,17-18H,1H2,(H,20,21)/t5-,7-/m0/s1 SMILES (mnx) [CH2:1]1[C@@H:5]([C:13](=[O:20])[OH:21])[NH:15][C:11]2=[C:10]([C@H:7]1[OH:17])[N:14]=[CH:3][C:4]1=[C:9]2[C:6](=[O:16])[CH:2]=[C:8]([OH:18])[C:12]1=[O:19]

Parent-child relations graph

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