pisonianone

Properties Image MNX_ID MNXM108019 reference chebi:67366 formula C17H14O6 global charge 0 mol weight 314.293 InChIKey PDDVFFPFQMGXKN-UHFFFAOYSA-N InChI InChI=1S/C17H14O6/c1-8-13(19)17(22-2)15(21)12-14(20)10(7-23-16(8)12)9-5-3-4-6-11(9)18/h3-7,18-19,21H,1-2H3 SMILES COC1=C(O)C2=C(OC=C(C3=C(O)C=CC=C3)C2=O)C(C)=C1O MNX internals InChI (mnx) InChI=1/C17H14O6/c1-8-13(19)17(22-2)15(21)12-14(20)10(7-23-16(8)12)9-5-3-4-6-11(9)18/h3-7,18-19,21H,1-2H3 SMILES (mnx) [CH3:1][C:8]1=[C:16]2[C:12](=[C:15]([OH:21])[C:17]([O:22][CH3:2])=[C:13]1[OH:19])[C:14](=[O:20])[C:10]([C:9]1=[CH:5][CH:3]=[CH:4][CH:6]=[C:11]1[OH:18])=[CH:7][O:23]2

Parent-child relations graph

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