Homogentisic acid

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Systematic / IUPAC Name: (2,5-Dihydroxyphenyl)acetic acid

ID: Reference1295

Other Names: Benzeneacetic acid, 2,5-dihydroxy-;
Acetic acid, (2,5-dihydroxyphenyl)-;
2,5-Dihydroxy-α-toluate;
Alcapton;
Homogentisinic acid ; more

Formula: C8H8O4

Class: Endogenous Metabolites

Spectral Data

Homogentisic 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
No. of Spectral Trees 1
No. of Spectra 160
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 12/4/2014 10:25:17 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)
InChI Key IGMNYECMUMZDDF-UHFFFAOYSA-N
Canonical SMILES C1=CC(=C(C=C1O)CC(=O)O)O
CAS 451138
Splash
Other Names Benzeneacetic acid, 2,5-dihydroxy-;
Acetic acid, (2,5-dihydroxyphenyl)-;
2,5-Dihydroxy-α-toluate;
Alcapton;
Homogentisinic acid;
Homogentisinate;
Melanic acid

In Other Databases

Wikipedia Homogentisic acid
PubChem 780
HMDb HMDB00130
ChEBI CHEBI:44747
ChemIDPlus 000451138; 071694003
ChemSpider 759
KEGG C00544