Kojic acid

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Systematic / IUPAC Name: 5-Hydroxy-2-(hydroxymethyl)-4H-pyran-4-one

ID: Reference1239

Other Names: 4H-Pyran-4-one, 5-hydroxy-2-(hydroxymethyl)-;
2-Hydroxymethyl-5-hydroxy-Υ-pyrone;
2-(Hydroxymethyl)-5-hydroxy-4H-pyran-4-one;
Pyran-4-one, 5-hydroxy-2-(hydroxymethyl)

Formula: C6H6O4

Class: Endogenous Metabolites Natural Toxins

Spectral Data

Kojic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 4
No. of Spectra 723
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI; APCI; NSI
Analyzers IT; FT
Last Modification 8/2/2016 7:45:48 AM
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Identificators

InChI InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2
InChI Key BEJNERDRQOWKJM-UHFFFAOYSA-N
Canonical SMILES C1=C(OC=C(C1=O)O)CO
CAS 501304
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Other Names 4H-Pyran-4-one, 5-hydroxy-2-(hydroxymethyl)-;
2-Hydroxymethyl-5-hydroxy-Υ-pyrone;
2-(Hydroxymethyl)-5-hydroxy-4H-pyran-4-one;
Pyran-4-one, 5-hydroxy-2-(hydroxymethyl)

In Other Databases

HMDb HMDB32923
ChEMBL CHEMBL287556
PubChem 3840
Wikipedia Kojic acid
ChEBI CHEBI:43572
ChemSpider 3708
KEGG C14516
ChemIDPlus 000501304; 070145549