3-Coumaric acid

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Systematic / IUPAC Name: (2E)-3-(3-Hydroxyphenyl)acrylic acid

ID: Reference1402

Other Names: 3-Hydroxycinnamic acid;
m-Hydroxycinnamic acid;
Cinnamic acid, m-hydroxy-;
(2E)-3-(3-Hydroxyphenyl)prop-2-enoic acid;
2-Propenoic acid, 3-(3-hydroxyphenyl)- ; more

Formula: C9H8O3

Class: Endogenous Metabolites

Spectral Data

3-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 1
No. of Spectra 109
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/3/2014 2:53:20 PM
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Identificators

InChI InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+
InChI Key KKSDGJDHHZEWEP-SNAWJCMRSA-N
Canonical SMILES C1=CC(=CC(=C1)O)C=CC(=O)O
CAS 621545
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Other Names 3-Hydroxycinnamic acid;
m-Hydroxycinnamic acid;
Cinnamic acid, m-hydroxy-;
(2E)-3-(3-Hydroxyphenyl)prop-2-enoic acid;
2-Propenoic acid, 3-(3-hydroxyphenyl)-;
3-(3-Hydroxyphenyl)-2-propenoic acid;
3-(3-Hydroxyphenyl)acrylate;
3-(3-Hydroxyphenyl)prop-2-enoic acid;
3-(3-Hydroxyphenyl)prop-2-enoate;
3-Hydroxyphenylacrylic acid;
Cinnamic acid, 3-hydroxy-;
m-Coumaric acid

In Other Databases

HMDb HMDB01713
KEGG C12621
ChemSpider 553147
PubChem 637541
ChEBI CHEBI:32357
Wikipedia m-Coumaric acid
ChemIDPlus 000588307; 014755023
ChEMBL CHEMBL98521