sappanchalcone

Properties Image MNX_ID MNXM108705 reference chebi:66172 formula C16H14O5 global charge 0 mol weight 286.283 InChIKey JVGNTXGHBHMJDO-QHHAFSJGSA-N InChI InChI=1S/C16H14O5/c1-21-16-9-11(17)4-5-12(16)13(18)6-2-10-3-7-14(19)15(20)8-10/h2-9,17,19-20H,1H3/b6-2+ SMILES COC1=CC(O)=CC=C1C(=O)/C=C/C1=CC=C(O)C(O)=C1 MNX internals InChI (mnx) InChI=1/C16H14O5/c1-21-16-9-11(17)4-5-12(16)13(18)6-2-10-3-7-14(19)15(20)8-10/h2-9,17,19-20H,1H3/b6-2+ SMILES (mnx) [CH3:1][O:21][C:16]1=[C:12]([C:13](/[CH:6]=[CH:2]/[C:10]2=[CH:8][C:15]([OH:20])=[C:14]([OH:19])[CH:7]=[CH:3]2)=[O:18])[CH:5]=[CH:4][C:11]([OH:17])=[CH:9]1

Parent-child relations graph

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