Dopamine-3-O-Glucuronide

Properties Image MNX_ID MNXM744695 reference biggM:dopa3glcur formula C14H19NO8 global charge 0 mol weight 329.305 InChIKey VFNIABIHYUQGBJ-BYNIDDHOSA-N InChI InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(16)8(5-6)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h1-2,5,9-12,14,16-19H,3-4,15H2,(H,20,21)/t9-,10-,11+,12-,14+/m0/s1 SMILES NCCC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)=C(O)C=C1 MNX internals InChI (mnx) InChI=1/C14H19NO8/c15-4-3-6-1-2-7(16)8(5-6)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h1-2,5,9-12,14,16-19H,3-4,15H2,(H,20,21)/t9-,10-,11+,12-,14+/m0/s1 SMILES (mnx) [CH:1]1=[CH:2][C:7]([OH:16])=[C:8]([O:22][C@H:14]2[C@H:11]([OH:19])[C@@H:9]([OH:17])[C@H:10]([OH:18])[C@@H:12]([C:13](=[O:20])[OH:21])[O:23]2)[CH:5]=[C:6]1[CH2:3][CH2:4][NH2:15]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 3