deacetyl-7-Aminocephalosporanic acid

Properties Image MNX_ID MNXM167610 reference sabiorkM:29487 formula C8H10N2O4S global charge 0 mol weight 230.245 InChIKey BQIMPGFMMOZASS-CLZZGJSISA-N InChI InChI=1S/C8H10N2O4S/c9-4-6(12)10-5(8(13)14)3(1-11)2-15-7(4)10/h4,7,11H,1-2,9H2,(H,13,14)/t4-,7-/m1/s1 SMILES N[C@@H]1C(=O)N2C(C(=O)O)=C(CO)CS[C@H]12 MNX internals InChI (mnx) InChI=1/C8H10N2O4S/c9-4-6(12)10-5(8(13)14)3(1-11)2-15-7(4)10/h4,7,11H,1-2,9H2,(H,13,14)/t4-,7-/m1/s1 SMILES (mnx) [CH2:1]([C:3]1=[C:5]([C:8](=[O:13])[OH:14])[N:10]2[C:6](=[O:12])[C@@H:4]([NH2:9])[C@H:7]2[S:15][CH2:2]1)[OH:11]

Parent-child relations graph

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