Met006181: LY223982

  Metabolite Information

Name
LY223982
IUPAC Name
3-[3-(2-carboxyethyl)-4-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]benzoyl]benzoic acid
Molecular Formula
C30H30O7
Molecular Weight
502.6
Exact Mass
502.1991533
SMILES
COC1=CC=C(C=C1)C=CCCCCOC2=C(C=C(C=C2)C(=O)C3=CC(=CC=C3)C(=O)O)CCC(=O)O
InChIKey
SYZSSLLFRVDRHL-QPJJXVBHSA-N
InChI
InChI=1S/C30H30O7/c1-36-26-14-10-21(11-15-26)7-4-2-3-5-18-37-27-16-12-24(19-22(27)13-17-28(31)32)29(33)23-8-6-9-25(20-23)30(34)35/h4,6-12,14-16,19-20H,2-3,5,13,17-18H2,1H3,(H,31,32)(H,34,35)/b7-4+
Other Databases Link
PubChem:6444688

  Structure

  2D Structure
  3D Structure

  Classification 

(data sourced from ClassyFire)

Kingdom: Organic compounds
    Superclass: Benzenoids
        Class: Benzene and substituted derivatives
            Subclass: Benzophenones

  Crops containing this metabolite

s_miltiorrhiza

  Metabolite Spectrum Accession Label

SMIL03473p