Methyl caffeate

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Systematic / IUPAC Name: Methyl (2E)-3-(3,4-dihydroxyphenyl)acrylate

ID: Reference6243

Other Names: (E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid methyl ester;
(E)-3-(3,4-Dihydroxyphenyl)propenoic acid methyl ester;
(E)-Methyl 3-(3,4-dihydroxyphenyl)acrylate;
E-Caffeic acid methyl ester;
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, methyl ester ; more

Formula: C10H10O4

Class: Endogenous Metabolites Natural Products/Medicines

Spectral Data

Methyl caffeate 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 1028
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers IT; FT
Last Modification 1/25/2017 9:10:30 AM
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Identificators

InChI InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+
InChI Key OCNYGKNIVPVPPX-HWKANZROSA-N
Canonical SMILES COC(=O)C=CC1=CC(=C(C=C1)O)O
CAS 3843741
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Other Names (E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid methyl ester;
(E)-3-(3,4-Dihydroxyphenyl)propenoic acid methyl ester;
(E)-Methyl 3-(3,4-dihydroxyphenyl)acrylate;
E-Caffeic acid methyl ester;
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, methyl ester;
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, methyl ester, (E)-;
3-(3,4-Dihydroxy-phenyl)-acrylic acid methyl ester;
3,4-Dihydroxycinnamic acid methyl ester;
Caffeic acid methylester;
Caffeic acid, methyl ester;
Methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate;
Methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate;
Methyl 3,4-dihydroxycinnamate;
Methylcaffeate

In Other Databases

ChEMBL CHEMBL17001
KEGG C10477
PubChem 689075
ChemSpider 600455
Wikipedia Methyl caffeate
ChEBI CHEBI:6856