Ketoprofen glucuronide

Properties Image MNX_ID MNXM738579 reference chebi:165194 formula C22H22O9 global charge 0 mol weight 430.409 InChIKey PBTXSZZKPHBHMA-LYFYOZKASA-N InChI InChI=1S/C22H22O9/c1-11(13-8-5-9-14(10-13)15(23)12-6-3-2-4-7-12)21(29)31-22-18(26)16(24)17(25)19(30-22)20(27)28/h2-11,16-19,22,24-26H,1H3,(H,27,28)/t11?,16-,17-,18+,19-,22-/m0/s1 SMILES CC(C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C1=CC(C(=O)C2=CC=CC=C2)=CC=C1 MNX internals InChI (mnx) InChI=1/C22H22O9/c1-11(13-8-5-9-14(10-13)15(23)12-6-3-2-4-7-12)21(29)31-22-18(26)16(24)17(25)19(30-22)20(27)28/h2-11,16-19,22,24-26H,1H3,(H,27,28)/t11?,16-,17-,18+,19-,22-/m0/s1 SMILES (mnx) [CH3:1][CH:11]([C:13]1=[CH:10][C:14]([C:15]([C:12]2=[CH:6][CH:3]=[CH:2][CH:4]=[CH:7]2)=[O:23])=[CH:9][CH:5]=[CH:8]1)[C:21](=[O:29])[O:31][C@H:22]1[C@H:18]([OH:26])[C@@H:16]([OH:24])[C@H:17]([OH:25])[C@@H:19]([C:20](=[O:27])[OH:28])[O:30]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0