o-O-glucuronide rosiglitazone

Properties Image MNX_ID MNXM158923 reference chebi:168424 formula C24H27N3O10S global charge 0 mol weight 549.558 InChIKey YDRMOALONMVDNG-UHFFFAOYSA-N InChI InChI=1S/C24H27N3O10S/c1-27(9-10-35-13-6-4-12(5-7-13)11-15-21(31)26-24(34)38-15)20-14(3-2-8-25-20)36-23-18(30)16(28)17(29)19(37-23)22(32)33/h2-8,15-19,23,28-30H,9-11H2,1H3,(H,32,33)(H,26,31,34) SMILES CN(CCOC1=CC=C(CC2SC(=O)NC2=O)C=C1)C1=NC=CC=C1OC1OC(C(=O)O)C(O)C(O)C1O MNX internals InChI (mnx) InChI=1/C24H27N3O10S/c1-27(9-10-35-13-6-4-12(5-7-13)11-15-21(31)26-24(34)38-15)20-14(3-2-8-25-20)36-23-18(30)16(28)17(29)19(37-23)22(32)33/h2-8,15-19,23,28-30H,9-11H2,1H3,(H,32,33)(H,26,31,34)/t15?,16?,17?,18?,19?,23? SMILES (mnx) [CH3:1][N:27]([CH2:9][CH2:10][O:35][C:13]1=[CH:7][CH:5]=[C:12]([CH2:11][CH:15]2[C:21]([OH:31])=[N:26][C:24](=[O:34])[S:38]2)[CH:4]=[CH:6]1)[C:20]1=[C:14]([O:36][CH:23]2[CH:18]([OH:30])[CH:16]([OH:28])[CH:17]([OH:29])[CH:19]([C:22](=[O:32])[OH:33])[O:37]2)[CH:3]=[CH:2][CH:8]=[N:25]1

Parent-child relations graph

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