Trimetoquinol hydrochloride hydrate (JP18)

Properties Image MNX_ID MNXM161921 reference keggD:D05037 formula C19H26ClNO6 global charge 0 mol weight 399.871 InChIKey NYRVBYLXLHGXDP-UTLKBRERSA-N InChI InChI=1S/C19H23NO5.ClH.H2O/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14;;/h7-10,14,20-22H,4-6H2,1-3H3;1H;1H2/t14-;;/m0../s1 SMILES COC1=CC(C[C@@H]2NCCC3=CC(O)=C(O)C=C32)=CC(OC)=C1OC.Cl.O MNX internals InChI (mnx) InChI=1/C19H23NO5.ClH.H2O/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14;;/h7-10,14,20-22H,4-6H2,1-3H3;1H;1H2/t14-;;/m0../s1 SMILES (mnx) [CH3:1][O:23][C:17]1=[C:19]([O:25][CH3:3])[C:18]([O:24][CH3:2])=[CH:8][C:11]([CH2:6][C@H:14]2[C:13]3=[CH:10][C:16]([OH:22])=[C:15]([OH:21])[CH:9]=[C:12]3[CH2:4][CH2:5][NH:20]2)=[CH:7]1.[ClH:26].[OH2:27]

Parent-child relations graph

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