3'-O-methylorobol

Properties Image MNX_ID MNXM101754 reference chebi:70032 formula C16H12O6 global charge 0 mol weight 300.266 InChIKey ZMFBGWWGXBNJAC-UHFFFAOYSA-N InChI InChI=1S/C16H12O6/c1-21-13-4-8(2-3-11(13)18)10-7-22-14-6-9(17)5-12(19)15(14)16(10)20/h2-7,17-19H,1H3 SMILES COC1=C(O)C=CC(C2=COC3=C(C2=O)C(O)=CC(O)=C3)=C1 MNX internals InChI (mnx) InChI=1/C16H12O6/c1-21-13-4-8(2-3-11(13)18)10-7-22-14-6-9(17)5-12(19)15(14)16(10)20/h2-7,17-19H,1H3 SMILES (mnx) [CH3:1][O:21][C:13]1=[C:11]([OH:18])[CH:3]=[CH:2][C:8]([C:10]2=[CH:7][O:22][C:14]3=[CH:6][C:9]([OH:17])=[CH:5][C:12]([OH:19])=[C:15]3[C:16]2=[O:20])=[CH:4]1

Parent-child relations graph

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