Watasemycin B

Properties Image MNX_ID MNXM113924 reference chebi:70583 formula C16H20N2O3S2 global charge 0 mol weight 352.481 InChIKey NOEXPDVJQLSPPC-ZXAISWHRSA-N InChI InChI=1S/C16H20N2O3S2/c1-9-12(14-18(3)16(2,8-22-14)15(20)21)17-13(23-9)10-6-4-5-7-11(10)19/h4-7,9,12,14,19H,8H2,1-3H3,(H,20,21)/t9-,12+,14+,16+/m0/s1 SMILES C[C@@H]1SC(C2=CC=CC=C2O)=N[C@H]1[C@H]1SC[C@](C)(C(=O)O)N1C MNX internals InChI (mnx) InChI=1/C16H20N2O3S2/c1-9-12(14-18(3)16(2,8-22-14)15(20)21)17-13(23-9)10-6-4-5-7-11(10)19/h4-7,9,12,14,19H,8H2,1-3H3,(H,20,21)/t9-,12+,14+,16+/m0/s1 SMILES (mnx) [CH3:1][C@H:9]1[C@H:12]([C@@H:14]2[N:18]([CH3:3])[C@@:16]([CH3:2])([C:15](=[O:20])[OH:21])[CH2:8][S:22]2)[N:17]=[C:13]([C:10]2=[CH:6][CH:4]=[CH:5][CH:7]=[C:11]2[OH:19])[S:23]1

Parent-child relations graph

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