grixazone A

Properties Image MNX_ID MNXM114513 reference chebi:73482 formula C18H14N3O6S global charge -1 mol weight 400.392 InChIKey CBXHEDPBKOZZSI-NSHDSACASA-M InChI InChI=1S/C18H15N3O6S/c1-8(23)20-11(18(25)26)7-28-17-15(19)12(24)5-14-16(17)21-10-4-9(6-22)2-3-13(10)27-14/h2-6,11H,7,19H2,1H3,(H,20,23)(H,25,26)/p-1/t11-/m0/s1 SMILES CC(=O)N[C@@H](CSC1=C(N)C(=O)C=C2OC3=C(C=C(C=O)C=C3)N=C21)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C18H15N3O6S/c1-8(23)20-11(18(25)26)7-28-17-15(19)12(24)5-14-16(17)21-10-4-9(6-22)2-3-13(10)27-14/h2-6,11H,7,19H2,1H3,(H,20,23)(H,25,26)/t11-/m0/s1 SMILES (mnx) [CH3:1][C:8](=[N:20][C@@H:11]([CH2:7][S:28][C:17]1=[C:15]([NH2:19])[C:12](=[O:24])[CH:5]=[C:14]2[C:16]1=[N:21][C:10]1=[C:13]([CH:3]=[CH:2][C:9]([CH:6]=[O:22])=[CH:4]1)[O:27]2)[C:18](=[O:25])[OH:26])[OH:23]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0