Morphine-3-glucuronide

Properties Image MNX_ID MNXM741080 reference chebi:80631 formula C23H27NO9 global charge 0 mol weight 461.467 InChIKey WAEXKFONHRHFBZ-ZXDZBKESSA-N InChI InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-4-12(25)20(23)32-18-13(5-2-9(14(18)23)8-11(10)24)31-22-17(28)15(26)16(27)19(33-22)21(29)30/h2-5,10-12,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10-,11+,12-,15-,16-,17+,19-,20-,22+,23-/m0/s1 SMILES CN1CC[C@]23C4=C5O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1CC4=CC=C5O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C23H27NO9/c1-24-7-6-23-10-3-4-12(25)20(23)32-18-13(5-2-9(14(18)23)8-11(10)24)31-22-17(28)15(26)16(27)19(33-22)21(29)30/h2-5,10-12,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10-,11+,12-,15-,16-,17+,19-,20-,22+,23-/m0/s1 SMILES (mnx) [CH3:1][N:24]1[CH2:7][CH2:6][C@@:23]23[C@H:10]4[CH:3]=[CH:4][C@H:12]([OH:25])[C@@H:20]2[O:32][C:18]2=[C:13]([O:31][C@H:22]5[C@H:17]([OH:28])[C@@H:15]([OH:26])[C@H:16]([OH:27])[C@@H:19]([C:21](=[O:29])[OH:30])[O:33]5)[CH:5]=[CH:2][C:9](=[C:14]23)[CH2:8][C@H:11]41

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0