4-Coumaric acid

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Systematic / IUPAC Name: (E)-3-(4-hydroxyphenyl)prop-2-enoic acid

ID: Reference539

Other Names: p-Hydroxycinnamic acid;
Hydroxycinnamic acid;
3-(4-Hydroxyphenyl)acrylic acid;
Cinnamic acid, p-hydroxy-;
p-Hydroxyphenylacrylic acid ; more

Formula: C9H8O3

Class: Endogenous Metabolites

Spectral Data

4-Coumaric 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 347
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 2/3/2015 1:33:30 PM
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Identificators

InChI InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
InChI Key NGSWKAQJJWESNS-ZZXKWVIFSA-N
Canonical SMILES C1=CC(=CC=C1/C=C/C(=O)O)O
CAS 7400080
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Other Names p-Hydroxycinnamic acid;
Hydroxycinnamic acid;
3-(4-Hydroxyphenyl)acrylic acid;
Cinnamic acid, p-hydroxy-;
p-Hydroxyphenylacrylic acid;
2-Propenoic acid, 3-(4-hydroxyphenyl)-;
3-(4-Hydroxyphenyl)-2-propenoic acid;
β-(4-Hydroxyphenyl)acrylic acid;
3-(4-Hydroxyphenyl)prop-2-enoic acid;
Hydroxycinnamate;
p-Hydroxyphenylacrylate;
4-Hydroxyphenylpropenoate;
p-Hydroxyl cinnamic acid;
p-Coumaric acid;
Naringeninic acid

In Other Databases

KEGG C00811
ChEMBL CHEMBL66879
Wikipedia Coumaric acid
ChemSpider 553148
HMDb HMDB02035
ChemIDPlus 000501984; 007400080; 050940266
PubChem 637542
ChEBI CHEBI:32374