Glucuronide-conjugate of 3-methoxy-acetaminophen

Properties Image MNX_ID MNXM744704 reference biggM:glc3meacp formula C14H17NO9 global charge 0 mol weight 343.288 InChIKey BBEGGLXOOYJYCF-UHFFFAOYSA-N InChI InChI=1S/C14H17NO9/c1-5(16)15-6-2-3-7(17)8(4-6)23-14-11(20)9(18)10(19)12(24-14)13(21)22/h2-4,9-12,14,17-20H,1H3,(H,15,16)(H,21,22) SMILES CC(=O)NC1=CC=C(O)C(OC2OC(C(=O)O)C(O)C(O)C2O)=C1 MNX internals InChI (mnx) InChI=1/C14H17NO9/c1-5(16)15-6-2-3-7(17)8(4-6)23-14-11(20)9(18)10(19)12(24-14)13(21)22/h2-4,9-12,14,17-20H,1H3,(H,15,16)(H,21,22)/t9?,10?,11?,12?,14? SMILES (mnx) [CH3:1][C:5](=[N:15][C:6]1=[CH:4][C:8]([O:23][CH:14]2[CH:11]([OH:20])[CH:9]([OH:18])[CH:10]([OH:19])[CH:12]([C:13](=[O:21])[OH:22])[O:24]2)=[C:7]([OH:17])[CH:3]=[CH:2]1)[OH:16]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 4