4-methylaeruginoic acid

Properties Image MNX_ID MNXM101981 reference chebi:66368 formula C11H11NO3S global charge 0 mol weight 237.28 InChIKey OXCVIPGXPILNPT-LLVKDONJSA-N InChI InChI=1S/C11H11NO3S/c1-11(10(14)15)6-16-9(12-11)7-4-2-3-5-8(7)13/h2-5,13H,6H2,1H3,(H,14,15)/t11-/m1/s1 SMILES C[C@]1(C(=O)O)CSC(C2=CC=CC=C2O)=N1 MNX internals InChI (mnx) InChI=1/C11H11NO3S/c1-11(10(14)15)6-16-9(12-11)7-4-2-3-5-8(7)13/h2-5,13H,6H2,1H3,(H,14,15)/t11-/m1/s1 SMILES (mnx) [CH3:1][C@:11]1([C:10](=[O:14])[OH:15])[CH2:6][S:16][C:9]([C:7]2=[CH:4][CH:2]=[CH:3][CH:5]=[C:8]2[OH:13])=[N:12]1

Parent-child relations graph

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