Gallic acid

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Systematic / IUPAC Name: 3,4,5-Trihydroxybenzoic acid

ID: Reference1221

Other Names: Benzoic acid, 3,4,5-trihydroxy-;
Pyrogallol-5-carboxylic acid;
5-Carboxybenzene-1,2,3-triol;
Gallic acid, 5-carboxybenzene-1,2,3-triol

Formula: C7H6O5

Class: Endogenous Metabolites

Spectral Data

Gallic 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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 72
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/17/2016 1:12:45 PM
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Identificators

InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)
InChI Key LNTHITQWFMADLM-UHFFFAOYSA-N
Canonical SMILES C1=C(C=C(C(=C1O)O)O)C(=O)O
CAS 149917
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Other Names Benzoic acid, 3,4,5-trihydroxy-;
Pyrogallol-5-carboxylic acid;
5-Carboxybenzene-1,2,3-triol;
Gallic acid, 5-carboxybenzene-1,2,3-triol

In Other Databases

HMDb HMDB05807
ChEMBL CHEMBL288114
Wikipedia Gallic acid
ChemSpider 361
KEGG C01424; D01398
ChEBI CHEBI:30778
ChemIDPlus 000149917; 012263400; 000138589; 017103661; 057206572; 000099263; 002053216; 039336088; 050894365
PubChem 370