Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one synonyms



Graphical representations:


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Molecular Formula: C15H14O5

Natural Isotopic Abundance Mass: 274.26866

Mono-Isotopic Molecular Masses:

  • C12N14: 274.084123548
  • C13N14: 289.134446118
  • C12N15: 274.084123548
  • C13N15: 289.134446118

InChI string: InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2

MMCD: cq_00523
PDB Compound ID: G50
PubChem Compound (CID): 4788

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,