gentiacaulein

Properties Image MNX_ID MNXM54880 reference chebi:5313 formula C15H12O6 global charge 0 mol weight 288.255 InChIKey WYOSCUWDVFHQFY-UHFFFAOYSA-N InChI InChI=1S/C15H12O6/c1-19-7-5-9(17)12-11(6-7)21-10-4-3-8(16)15(20-2)13(10)14(12)18/h3-6,16-17H,1-2H3 SMILES COC1=CC(O)=C2C(=O)C3=C(C=CC(O)=C3OC)OC2=C1 MNX internals InChI (mnx) InChI=1/C15H12O6/c1-19-7-5-9(17)12-11(6-7)21-10-4-3-8(16)15(20-2)13(10)14(12)18/h3-6,16-17H,1-2H3 SMILES (mnx) [CH3:1][O:19][C:7]1=[CH:5][C:9]([OH:17])=[C:12]2[C:11](=[CH:6]1)[O:21][C:10]1=[C:13]([C:14]2=[O:18])[C:15]([O:20][CH3:2])=[C:8]([OH:16])[CH:3]=[CH:4]1

Parent-child relations graph

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