Caffeic acid

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

ID: Reference337

Other Names: 3,4-Dihydroxycinnamic acid;
3-(3,4-Dihydroxyphenyl)acrylic acid;
Cinnamic acid, 3,4-dihydroxy-;
3,4-Dihydroxybenzeneacrylic acid;
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)- ; more

Formula: C9H8O4

Class: Endogenous Metabolites

Spectral Data

Caffeic 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; Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 350
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 12/18/2014 9:01:47 AM
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Identificators

InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
InChI Key QAIPRVGONGVQAS-DUXPYHPUSA-N
Canonical SMILES C1=CC(=C(C=C1/C=C/C(=O)O)O)O
CAS 331395
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Other Names 3,4-Dihydroxycinnamic acid;
3-(3,4-Dihydroxyphenyl)acrylic acid;
Cinnamic acid, 3,4-dihydroxy-;
3,4-Dihydroxybenzeneacrylic acid;
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-;
(2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoic acid;
3-(3,4-Dihydroxyphenyl)propenoic acid;
4-(2-Carboxyethenyl)-1,2-dihydroxybenzene;
3-(3,4-Dihydroxyphenyl)prop-2-enoic acid;
(E)-3-(3,4-Dihydroxyphenyl)acrylic acid;
(E)-3-(3,4-Dihydroxyphenyl)-2-propenoic acid;
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (E)-

In Other Databases

ChemIDPlus 000331395; 071693975; 000501166
Wikipedia Caffeic_acid
ChEMBL CHEMBL145
ChemSpider 600426
ChEBI CHEBI:16433
PubChem 689043
HMDb HMDB01964; HMDB03501
KEGG C01197; C01481