3,5-Dihydroxybenzoic acid

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Systematic / IUPAC Name: 3,5-Dihydroxybenzoic acid

ID: Reference145

Other Names: Benzoic acid, 3,5-dihydroxy-;
3,5-Dihydroxy benzoic acid;
α-Resorcylic acid;
5-Carboxyresorcinol;
3,5-DHBA

Formula: C7H6O4

Class: Endogenous Metabolites

Spectral Data

3,5-Dihydroxybenzoic 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 153
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 11/10/2014 8:18:05 AM
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Identificators

InChI InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)
InChI Key UYEMGAFJOZZIFP-UHFFFAOYSA-N
Canonical SMILES C1=C(C=C(C=C1O)O)C(=O)O
CAS 99105
Splash
Other Names Benzoic acid, 3,5-dihydroxy-;
3,5-Dihydroxy benzoic acid;
α-Resorcylic acid;
5-Carboxyresorcinol;
3,5-DHBA

In Other Databases

ChEMBL CHEMBL95308
ChemIDPlus 000099105
Wikipedia 3,5-Dihydroxybenzoic acid
HMDb HMDB13677
ChEBI CHEBI:39912
ChemSpider 7146
PubChem 7424