Peucedanone

Properties Image MNX_ID MNXM107694 reference chebi:66739 formula C14H14O5 global charge 0 mol weight 262.261 InChIKey HCVVJUMQCNQCCT-UHFFFAOYSA-N InChI InChI=1S/C14H14O5/c1-14(2,18)12(16)6-9-5-8-3-4-13(17)19-11(8)7-10(9)15/h3-5,7,15,18H,6H2,1-2H3 SMILES CC(C)(O)C(=O)CC1=C(O)C=C2OC(=O)C=CC2=C1 MNX internals InChI (mnx) InChI=1/C14H14O5/c1-14(2,18)12(16)6-9-5-8-3-4-13(17)19-11(8)7-10(9)15/h3-5,7,15,18H,6H2,1-2H3 SMILES (mnx) [CH3:1][C:14]([CH3:2])([C:12]([CH2:6][C:9]1=[C:10]([OH:15])[CH:7]=[C:11]2[C:8](=[CH:5]1)[CH:3]=[CH:4][C:13](=[O:17])[O:19]2)=[O:16])[OH:18]

Parent-child relations graph

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