Pimpinellin

Properties Image MNX_ID MNXM12698 reference chebi:8213 formula C13H10O5 global charge 0 mol weight 246.218 InChIKey BQPRWZCEKZLBHL-UHFFFAOYSA-N InChI InChI=1S/C13H10O5/c1-15-11-7-3-4-9(14)18-10(7)8-5-6-17-12(8)13(11)16-2/h3-6H,1-2H3 SMILES COC1=C2C=CC(=O)OC2=C2C=COC2=C1OC MNX internals InChI (mnx) InChI=1/C13H10O5/c1-15-11-7-3-4-9(14)18-10(7)8-5-6-17-12(8)13(11)16-2/h3-6H,1-2H3 SMILES (mnx) [CH3:1][O:15][C:11]1=[C:13]([O:16][CH3:2])[C:12]2=[C:8]([CH:5]=[CH:6][O:17]2)[C:10]2=[C:7]1[CH:3]=[CH:4][C:9](=[O:14])[O:18]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0