3'-Bromo-6'-hydroxy-2',4,4'-trimethoxychalcone

Properties Image MNX_ID MNXM25422 reference lipidmapsM:LMPK12120312 formula C18H17BrO5 global charge 0 mol weight 393.233 InChIKey PNMLJMWWFUWWKQ-RMKNXTFCSA-N InChI InChI=1S/C18H17BrO5/c1-22-12-7-4-11(5-8-12)6-9-13(20)16-14(21)10-15(23-2)17(19)18(16)24-3/h4-10,21H,1-3H3/b9-6+ SMILES COC1=CC=C(/C=C/C(=O)C2=C(O)C=C(OC)C(Br)=C2OC)C=C1 MNX internals InChI (mnx) InChI=1/C18H17BrO5/c1-22-12-7-4-11(5-8-12)6-9-13(20)16-14(21)10-15(23-2)17(19)18(16)24-3/h4-10,21H,1-3H3/b9-6+ SMILES (mnx) [CH3:1][O:22][C:12]1=[CH:8][CH:5]=[C:11](/[CH:6]=[CH:9]/[C:13]([C:16]2=[C:18]([O:24][CH3:3])[C:17]([Br:19])=[C:15]([O:23][CH3:2])[CH:10]=[C:14]2[OH:21])=[O:20])[CH:4]=[CH:7]1

Parent-child relations graph

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