ortho-hydroxyrosiglitazone

Properties Image MNX_ID MNXM159055 reference hmdb:HMDB0061105 formula C18H19N3O4S global charge 0 mol weight 373.434 InChIKey KQXWMUFVDAFGPU-UHFFFAOYSA-N InChI InChI=1S/C18H19N3O4S/c1-21(16-14(22)3-2-8-19-16)9-10-25-13-6-4-12(5-7-13)11-15-17(23)20-18(24)26-15/h2-8,15,22H,9-11H2,1H3,(H,20,23,24) SMILES CN(CCOC1=CC=C(CC2SC(=O)N=C2O)C=C1)C1=C(O)C=CC=N1 MNX internals InChI (mnx) InChI=1/C18H19N3O4S/c1-21(16-14(22)3-2-8-19-16)9-10-25-13-6-4-12(5-7-13)11-15-17(23)20-18(24)26-15/h2-8,15,22H,9-11H2,1H3,(H,20,23,24)/t15? SMILES (mnx) [CH3:1][N:21]([CH2:9][CH2:10][O:25][C:13]1=[CH:7][CH:5]=[C:12]([CH2:11][CH:15]2[C:17]([OH:23])=[N:20][C:18](=[O:24])[S:26]2)[CH:4]=[CH:6]1)[C:16]1=[C:14]([OH:22])[CH:3]=[CH:2][CH:8]=[N:19]1

Parent-child relations graph

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