Systematic / IUPAC Name: 3,4-Dihydroxybenzoic acid
ID: Reference144
Other Names:
Benzoic acid, 3,4-dihydroxy-;
4-Carboxy-1,2-dihydroxybenzene;
3,4-Dihydroxybenzoate;
4,5-Dihydroxybenzoic acid;
3,4-Dihydroxy benzoic acid
; more
Formula: C7H6O4
Class: Endogenous Metabolites
Protocatechuic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Elite; Q Exactive Orbitrap |
No. of Spectral Trees | 2 |
No. of Spectra | 217 |
Tandem Spectra | MS1, MS2 |
Ionization Methods | ESI |
Analyzers | FT |
Last Modification | 11/10/2014 7:58:54 AM |
InChI | InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11) |
InChI Key | YQUVCSBJEUQKSH-UHFFFAOYSA-N |
Canonical SMILES | C1=CC(=C(C=C1C(=O)O)O)O |
CAS | 99503 |
Splash | |
Other Names |
Benzoic acid, 3,4-dihydroxy-; 4-Carboxy-1,2-dihydroxybenzene; 3,4-Dihydroxybenzoate; 4,5-Dihydroxybenzoic acid; 3,4-Dihydroxy benzoic acid; Catechol-4-carboxylic acid; Protocatechuate; β-Resorcylate; 3,4-Dihydrobenzoic acid |
ChEBI | CHEBI:36062 |
Wikipedia | Protocatechuic acid |
ChemIDPlus | 000099503 |
HMDb | HMDB01856; HMDB01856 |
ChEMBL | CHEMBL37537 |
ChemSpider | 71 |
PubChem | 72 |
KEGG | C00230 |