1.0 2026-08-28 22:34:50 UTC 2026-08-28 22:34:50 UTC (3s,7r)-11-methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1,4,9,11,13(18)-pentaene-17,19-dione SmallMolecule (3s,7r)-11-methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1,4,9,11,13(18)-pentaene-17,19-dione belongs to the furanocoumarins, a subclass of coumarins and derivatives within the organic compounds. This compound has the formula C17H12O7 and an average molecular weight of 328.27 g/mol. It is classified within the superclass of phenylpropanoids and polyketides. This substance has been recorded as being found in or released from food, food processing, and cookware, specifically in the preparation of vinegar. C17H12O7 328.0583027 1165-39-5 COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1 InChI=1S/C17H12O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h3,5-6,8,17H,2,4H2,1H3/t8-,17+/m0/s1 XWIYFDMXXLINPU-WNWIJWBNSA-N Detected and Not Quantified logp 1.8 mono_mass 328.0583027 ChemAxon smiles COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1 ChemAxon formula C17H12O7 ChemAxon inchi InChI=1S/C17H12O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h3,5-6,8,17H,2,4H2,1H3/t8-,17+/m0/s1 ChemAxon inchikey XWIYFDMXXLINPU-WNWIJWBNSA-N ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f722733b918> 2724361