Isoferulic acid

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

ID: Reference143

Other Names: 3-Hydroxy-4-methoxycinnamic acid;
2-Propenoic acid, 3-(3-hydroxy-4-methoxyphenyl)-;
(2E)-3-(3-Hydroxy-4-methoxyphenyl)prop-2-enoic acid;
3-(3-Hydroxy-4-methoxyphenyl)prop-2-enoic acid;
3-(3-Hydroxy-4-methoxyphenyl)acrylic acid ; more

Formula: C10H10O4

Class: Endogenous Metabolites

Spectral Data

Isoferulic 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; Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 2
No. of Spectra 347
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 4/17/2018 11:18:47 AM
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Identificators

InChI InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
InChI Key QURCVMIEKCOAJU-HWKANZROSA-N
Canonical SMILES COc1ccc(cc1O)/C=C/C(=O)O
CAS 537735
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Other Names 3-Hydroxy-4-methoxycinnamic acid;
2-Propenoic acid, 3-(3-hydroxy-4-methoxyphenyl)-;
(2E)-3-(3-Hydroxy-4-methoxyphenyl)prop-2-enoic acid;
3-(3-Hydroxy-4-methoxyphenyl)prop-2-enoic acid;
3-(3-Hydroxy-4-methoxyphenyl)acrylic acid;
3-(3-Hydroxy-4-methoxyphenyl)-2-propenoic acid;
Cinnamic acid, 3-hydroxy-4-methoxy-;
3-Hydroxy-4-methoxycinnamate;
3-(3-Hydroxy-4-methoxyphenyl)-2-propenoate;
Hesperetate;
Isoferulate

In Other Databases

ChemIDPlus 025522332
ChEBI CHEBI:27794
HMDb HMDB00955; HMDB00955
PubChem 736186
Wikipedia Ferulic acid
ChEMBL CHEMBL233295
ChemSpider 643318
KEGG C10470