3,4-Dihydroxyphenylacetic acid

enlarge

Systematic / IUPAC Name: 2-(3,4-Dihydroxyphenyl)acetic acid

ID: Reference186

Other Names: Benzeneacetic acid, 3,4-dihydroxy-;
4-Carboxymethylcatechol;
Acetic acid, (3,4-dihydroxyphenyl)-;
3,4-Dihydroxybenzeneacetic acid;
3,4-Dihydroxyphenyl acetate ; more

Formula: C8H8O4

Class: Endogenous Metabolites

Spectral Data

3,4-Dihydroxyphenylacetic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 163
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 11/14/2014 10:20:14 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)
InChI Key CFFZDZCDUFSOFZ-UHFFFAOYSA-N
Canonical SMILES C1=CC(=C(C=C1CC(=O)O)O)O
CAS 102329
Splash
Other Names Benzeneacetic acid, 3,4-dihydroxy-;
4-Carboxymethylcatechol;
Acetic acid, (3,4-dihydroxyphenyl)-;
3,4-Dihydroxybenzeneacetic acid;
3,4-Dihydroxyphenyl acetate;
(3,4-Dihydroxyphenyl)acetic acid;
DOPAC;
Homoprotocatechuic acid;
Homoprotocatechuate;
3,4-DHPOP;
DHY

In Other Databases

ChemIDPlus 000102329
HMDb HMDB01336
ChEBI CHEBI:41941
ChEMBL CHEMBL1284
Wikipedia Dopac; 3,4-Dihydroxyphenylacetic acid
KEGG C01161
PubChem 547
ChemSpider 532