Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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5-hydroxy-2-(hydroxymethyl)pyran-4-one synonyms

Kojic acid


Graphical representations:


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Molecular Formula: C6H6O4

Natural Isotopic Abundance Mass: 142.10944

Mono-Isotopic Molecular Masses:

  • C12N14: 142.026608672
  • C13N14: 148.0467377
  • C12N15: 142.026608672
  • C13N15: 148.0467377

InChI string: InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2

MMCD: cq_14028
PDB Compound ID: KOJ
PubChem Compound (CID): 3840

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,