1-Hydroxypyrene glucuronide

Properties Image MNX_ID MNXM150055 reference chebi:169739 formula C22H18O7 global charge 0 mol weight 394.379 InChIKey BUCREAQPYGLZLI-SXFAUFNYSA-N InChI InChI=1S/C22H18O7/c23-17-18(24)20(21(26)27)29-22(19(17)25)28-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17-20,22-25H,(H,26,27)/t17-,18-,19+,20-,22+/m0/s1 SMILES O=C(O)[C@H]1O[C@@H](OC2=CC=C3C=CC4=CC=CC5=C4C3=C2C=C5)[C@H](O)[C@@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C22H18O7/c23-17-18(24)20(21(26)27)29-22(19(17)25)28-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17-20,22-25H,(H,26,27)/t17-,18-,19+,20-,22+/m0/s1 SMILES (mnx) [CH:1]1=[CH:2][C:10]2=[CH:4][CH:5]=[C:12]3[CH:7]=[CH:9][C:14]([O:28][C@H:22]4[C@H:19]([OH:25])[C@@H:17]([OH:23])[C@H:18]([OH:24])[C@@H:20]([C:21](=[O:26])[OH:27])[O:29]4)=[C:13]4[CH:8]=[CH:6][C:11](=[CH:3]1)[C:15]2=[C:16]34

Parent-child relations graph

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