Gentisic acid

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Systematic / IUPAC Name: 2,5-Dihydroxybenzoic acid

ID: Reference110

Other Names: Hydroquinonecarboxylic acid;
5-Hydroxysalicylic acid;
Benzoic acid, 2,5-dihydroxy-;
Salicylic acid, 5-hydroxy-;
Dihydroxybenzoicacid ; more

Formula: C7H6O4

Class: Therapeutics/Prescription Drugs Endogenous Metabolites

Spectral Data

Gentisic 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 421
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI; APCI
Analyzers FT
Last Modification 4/26/2017 7:06:24 AM
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Identificators

InChI InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)
InChI Key WXTMDXOMEHJXQO-UHFFFAOYSA-N
Canonical SMILES C1=CC(=C(C=C1O)C(=O)O)O
CAS 490799
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Other Names Hydroquinonecarboxylic acid;
5-Hydroxysalicylic acid;
Benzoic acid, 2,5-dihydroxy-;
Salicylic acid, 5-hydroxy-;
Dihydroxybenzoicacid;
2-Carboxybenzene-1,4-diol;
Gentisate;
Gensigen;
Gensigon;
Gentisinic acid;
Carboxyhydroquinone;
Gentinatre;
Gentalpin;
Gentasol;
Gentidol;
Gentisan;
Gentisod;
Genop;
2-Carboxyhydroquinone;
DHB;
2,5-DHBA

In Other Databases

ChemSpider 3350
ChemIDPlus 000490799; 004955902; 059302113; 000490802; 065402575; 065402600; 106120030
KEGG C00628
PubChem 3469
ChEMBL CHEMBL1461
HMDb HMDB00152
Wikipedia Gentisic acid
ChEBI CHEBI:17189