Xanthoxylin

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Systematic / IUPAC Name: 1-(2-Hydroxy-4,6-dimethoxyphenyl)ethanone

ID: Reference13683

Other Names: AA-3819

Formula: C10H12O4

Class: Endogenous Metabolites

Spectral Data

Xanthoxylin 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 ID-X with ETD_Cal Gateshead
No. of Spectral Trees 2
No. of Spectra 1254
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 12/12/2025 2:24:03 PM
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Identificators

InChI InChI=1S/C10H12O4/c1-6(11)10-8(12)4-7(13-2)5-9(10)14-3/h4-5,12H,1-3H3
InChI Key FBUBVLUPUDBFME-UHFFFAOYSA-N
Canonical SMILES COc1cc(O)c(C(C)=O)c(OC)c1
CAS
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Other Names AA-3819

In Other Databases

Wikipedia Brevifolin
KEGG C10726
ChEBI CHEBI:10070
PubChem 66654
ChEMBL CHEMBL450288
ChemSpider 60021
HMDb HMDB0029645