α-Asarone

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Systematic / IUPAC Name: 1,2,4-Trimethoxy-5-[(E)-prop-1-enyl]benzene

ID: Reference13800

Other Names: Asarone;
AA-4286

Formula: C12H16O3

Class: Endogenous Metabolites

Spectral Data

α-Asarone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 2802
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 2/27/2026 5:26:42 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5+
InChI Key RKFAZBXYICVSKP-AATRIKPKSA-N
Canonical SMILES C/C=C/c1cc(OC)c(OC)cc1OC
CAS
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Other Names Asarone;
AA-4286

In Other Databases

HMDb HMDB0031469
PubChem 636822; 636822
Wikipedia Asarone
ChEMBL CHEMBL333306
ChemSpider 552532
ChEBI CHEBI:78309
KEGG C17846