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:

5-hydroxy-2-(hydroxymethyl)pyran-4-one image

View large 3D structure

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


PubChem Substance (SID):   n/a
PubChem Compound (CID):   3840
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   KOJ
Miscellaneous Databases and IDs:   MMCD cq_14028

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: 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,