Apocynin

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Systematic / IUPAC Name: 1-(4-Hydroxy-3-methoxyphenyl)ethanone

ID: Reference5847

Other Names: 4-Acetylguaiacol;
Acetoguaiacon;
Acetoguaiacone;
Acetovanillon;
Acetovanillone ; more

Formula: C9H10O3

Class: Endogenous Metabolites

Spectral Data

Apocynin 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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 92
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/27/2016 8:58:41 AM
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Identificators

InChI InChI=1S/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3
InChI Key DFYRUELUNQRZTB-UHFFFAOYSA-N
Canonical SMILES CC(=O)C1=CC(=C(C=C1)O)OC
CAS 498022
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Other Names 4-Acetylguaiacol;
Acetoguaiacon;
Acetoguaiacone;
Acetovanillon;
Acetovanillone;
Acetovanilone;
Acetovanyllon;
Apocynine;
1-(4-Hydroxy-3-methoxyphenyl)ethan-1-one;
1-(4-Hydroxy-3-methoxyphenyl)-ethanone;
1-Acetyl-4-hydroxy-3-methoxybenzene;
2-Methoxy-4-acetylphenol;
3'-Methoxy-4'-hydroxyacetophenone;
3-Methoxy-4-hydroxyacetophenone;
4-Acetyl-2-methoxyphenol;
4'-Hydroxy-3'-methoxyacetophenone;
4-Hydroxy-3-methoxyacetophenone;
4-Hydroxy-3-methoxyphenyl methyl ketone;
Acetophenone, 4'-hydroxy-3'-methoxy-;
Ethanone, 1-(4-hydroxy-3-methoxyphenyl)-;
Phenol, 4-acetyl-2-methoxy

In Other Databases

Wikipedia Apocynin
PubChem 2214
ChEMBL CHEMBL346919
KEGG C11380
ChemSpider 21106900
ChEBI CHEBI:2781