Asparenomycin A

Properties Image MNX_ID MNXM735959 reference chebi:81062 formula C14H16N2O6S global charge 0 mol weight 340.357 InChIKey KJQZKTFSANMFQJ-RPGQRGOQSA-N InChI InChI=1S/C14H16N2O6S/c1-7(6-17)11-9-5-10(23(22)4-3-15-8(2)18)12(14(20)21)16(9)13(11)19/h3-4,9,17H,5-6H2,1-2H3,(H,15,18)(H,20,21)/b4-3+,11-7+/t9-,23?/m1/s1 SMILES CC(=O)N/C=C/S(=O)C1=C(C(=O)O)N2C(=O)/C(=C(\C)CO)[C@H]2C1 MNX internals InChI (mnx) InChI=1/C14H16N2O6S/c1-7(6-17)11-9-5-10(23(22)4-3-15-8(2)18)12(14(20)21)16(9)13(11)19/h3-4,9,17H,5-6H2,1-2H3,(H,15,18)(H,20,21)/b4-3+,11-7+/t9-,23?/m1/s1 SMILES (mnx) [CH3:1]/[C:7]([CH2:6][OH:17])=[C:11]1/[C@H:9]2[CH2:5][C:10]([S:23](/[CH:4]=[CH:3]/[N:15]=[C:8](/[CH3:2])[OH:18])=[O:22])=[C:12]([C:14](=[O:20])[OH:21])[N:16]2[C:13]1=[O:19]

Parent-child relations graph

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