Berberine chloride hydrate (JP18)

Properties Image MNX_ID MNXM119700 reference keggD:D01250 formula C20H20ClNO5 global charge 0 mol weight 389.835 InChIKey BPNJXFPOPCFZOC-UHFFFAOYSA-M InChI InChI=1S/C20H18NO4.ClH.H2O/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;;/h3-4,7-10H,5-6,11H2,1-2H3;1H;1H2/q+1;;/p-1 SMILES COC1=C(OC)C2=C[N+]3=C(C=C2C=C1)C1=C(C=C2OCOC2=C1)CC3.O.[Cl-] MNX internals InChI (mnx) InChI=1/C20H18NO4.ClH.H2O/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;;/h3-4,7-10H,5-6,11H2,1-2H3;1H;1H2/q+1;; SMILES (mnx) [CH3:1][O:22][C:17]1=[C:20]([O:23][CH3:2])[C:15]2=[CH:10][N+:21]3=[C:16]([CH:7]=[C:12]2[CH:3]=[CH:4]1)[C:14]1=[CH:9][C:19]2=[C:18]([CH:8]=[C:13]1[CH2:5][CH2:6]3)[O:24][CH2:11][O:25]2.[ClH:26].[OH2:27]

Parent-child relations graph

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