Methysticin

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Systematic / IUPAC Name: 6-[(E)-2-(1,3-Benzodioxol-5-yl)vinyl]-4-methoxy-5,6-dihydro-2H-pyran-2-one

ID: Reference2315

Other Names: 6-[2-(1,3-Benzodioxol-5-yl)ethenyl]-4-methoxy-5,6-dihydro-2H-pyran-2-one;
Kava-kava extract;
Kava-kava resin

Formula: C15H14O5

Class: Endogenous Metabolites Natural Toxins

Spectral Data

Methysticin 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 Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/23/2015 4:38:12 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C15H14O5/c1-17-12-7-11(20-15(16)8-12)4-2-10-3-5-13-14(6-10)19-9-18-13/h2-6,8,11H,7,9H2,1H3/b4-2+
InChI Key GTEXBOVBADJOQH-DUXPYHPUSA-N
Canonical SMILES COC1=CC(=O)OC(C1)C=CC2=CC3=C(C=C2)OCO3
CAS 495852
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Other Names 6-[2-(1,3-Benzodioxol-5-yl)ethenyl]-4-methoxy-5,6-dihydro-2H-pyran-2-one;
Kava-kava extract;
Kava-kava resin

In Other Databases

PubChem 5899068
Wikipedia Methysticin
ChemSpider 4738870