3,4-Dihydroxyphenylpropionic acid

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

ID: Reference142

Other Names: 3,4-Dihydroxyhydrocinnamic acid;
3,4-Dihydroxyhydrocinnamate;
3,4-Dihydroxybenzenepropionic acid;
Benzenepropanoic acid, 3,4-dihydroxy-;
3,4-Dihydroxyphenylpropionate ; more

Formula: C9H10O4

Class: Endogenous Metabolites

Spectral Data

3,4-Dihydroxyphenylpropionic 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 2
No. of Spectra 338
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI; NSI
Analyzers IT; FT
Last Modification 11/6/2014 2:52:04 PM
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Identificators

InChI InChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13)
InChI Key DZAUWHJDUNRCTF-UHFFFAOYSA-N
Canonical SMILES C1=CC(=C(C=C1CCC(=O)O)O)O
CAS 1078611
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Other Names 3,4-Dihydroxyhydrocinnamic acid;
3,4-Dihydroxyhydrocinnamate;
3,4-Dihydroxybenzenepropionic acid;
Benzenepropanoic acid, 3,4-dihydroxy-;
3,4-Dihydroxyphenylpropionate;
3-(3,4-Dihydroxyphenyl)propionate;
3,4-Dihydroxy-β-phenylpropionate;
3,4-Dihydroxy-β-phenylpropionic acid;
Dihydrocaffeic acid;
Dihydrocaffeate

In Other Databases

ChEMBL CHEMBL136927
PubChem 348154
KEGG C10447
ChEBI CHEBI:48400
ChemSpider 308986
HMDb HMDB00423
ChemIDPlus 071693953