Mrv0541 02271410442D          

 10 10  0  0  0  0            999 V2000
    6.9221   -2.0658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9221   -1.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4931   -2.0658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2076   -0.8283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2076   -2.4783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4931   -1.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2076   -0.0033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7787   -0.8283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6365   -2.4783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3510   -2.0658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1  2  2  0  0  0  0
  4  2  1  0  0  0  0
  4  7  2  0  0  0  0
  3  5  1  0  0  0  0
  5  1  1  0  0  0  0
  4  6  1  0  0  0  0
  6  3  2  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <ID>
CHEBI:43572

> <NAME>
kojic acid

> <DEFINITION>
A pyranone that is 4H-pyran substituted by a hydroxy group at position 5, a hydroxymethyl group at position 2 and an oxo group at position 4. It has been isolated from the fungus Aspergillus oryzae.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:43568; CHEBI:34805

> <SYNONYM>
Kojisaeure; Kojic acid; acido kojico; 5-hydroxy-2-hydroxymethyl-4-pyrone; 5-Hydroxy-2-(hydroxymethyl)-4-pyrone

> <IUPAC_NAME>
5-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one

> <FORMULA>
C6H6O4

> <MASS>
142.10940

> <MONOISOTOPIC_MASS>
142.02661

> <CHARGE>
0

> <SMILES>
OCc1cc(=O)c(O)co1

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

> <INCHIKEY>
BEJNERDRQOWKJM-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
120895

> <CAS_REGISTRY_NUMBER>
501-30-4

> <GMELIN_REGISTRY_NUMBER>
3620

> <REAXYS_REGISTRY_NUMBER>
120895

> <CHEMIDPLUS>
501-30-4

> <DRUGBANK_ACCESSION>
DB01759

> <KEGG_COMPOUND_ACCESSION>
C14516

> <METACYC_ACCESSION>
KOJIC-ACID

> <NIST_CHEMISTRY_WEBBOOK>
501-30-4

> <PDBECHEM_ACCESSION>
KOJ

> <WIKIPEDIA_ACCESSION>
Kojic_acid

> <PUBMED_CITATION>
11534762; 1348188; 15039076; 16198580; 18083129; 19471877; 20943172; 23683589; 24116376; 28166217; 7714722; 8987542

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