Epoxyobovatachalcone

Properties Image MNX_ID MNXM52408 reference lipidmapsM:LMPK12120236 formula C21H20O5 global charge 0 mol weight 352.386 InChIKey BMZJUVJQWXFIKC-MDZDMXLPSA-N InChI InChI=1S/C21H20O5/c1-21(2)20-19(25-20)17-15(26-21)11-14(24-3)16(18(17)23)13(22)10-9-12-7-5-4-6-8-12/h4-11,19-20,23H,1-3H3/b10-9+ SMILES COC1=C(C(=O)/C=C/C2=CC=CC=C2)C(O)=C2C(=C1)OC(C)(C)C1OC21 MNX internals InChI (mnx) InChI=1/C21H20O5/c1-21(2)20-19(25-20)17-15(26-21)11-14(24-3)16(18(17)23)13(22)10-9-12-7-5-4-6-8-12/h4-11,19-20,23H,1-3H3/b10-9+/t19?,20? SMILES (mnx) [CH3:1][C:21]1([CH3:2])[CH:20]2[CH:19]([C:17]3=[C:15]([CH:11]=[C:14]([O:24][CH3:3])[C:16]([C:13](/[CH:10]=[CH:9]/[C:12]4=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]4)=[O:22])=[C:18]3[OH:23])[O:26]1)[O:25]2

Parent-child relations graph

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