Myristicin

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Systematic / IUPAC Name: 6-Allyl-4-methoxy-1,3-benzodioxole

ID: Reference5544

Other Names: Myristicine;
1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)-;
4-Methoxy-6-(2-propenyl)-1,3-benzodioxole;
4-Methoxy-6-(prop-2-en-1-yl)-1,3-benzodioxole;
4-Methoxy-6-(prop-2-en-1-yl)-2H-1,3-benzodioxole ; more

Formula: C11H12O3

Class: Endogenous Metabolites

Spectral Data

Myristicin 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 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 8/19/2016 1:00:10 PM
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Identificators

InChI InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3,5-6H,1,4,7H2,2H3
InChI Key BNWJOHGLIBDBOB-UHFFFAOYSA-N
Canonical SMILES COC1=CC(=CC2=C1OCO2)CC=C
CAS 607910
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Other Names Myristicine;
1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)-;
4-Methoxy-6-(2-propenyl)-1,3-benzodioxole;
4-Methoxy-6-(prop-2-en-1-yl)-1,3-benzodioxole;
4-Methoxy-6-(prop-2-en-1-yl)-2H-1,3-benzodioxole;
4-Methoxy-6-[2-propenyl]-1,3-benzodioxole;
4-Methoxy-6-prop-2-enyl-1,3-benzodioxole;
4-Methoxy-6-prop-2-enyl-2H-benzo[d]1,3-dioxolene;
5-Allyl-1-methoxy-2,3-(methylenedioxy)benzene;
5-Allyl-2,3-(methylendioxy)anisole;
Benzene, 5-allyl-1-methoxy-2,3-(methylenedioxy)-

In Other Databases

PubChem 4276
ChEBI CHEBI:68234
HMDb HMDB35873
KEGG C10480
Wikipedia Myristicin
ChemIDPlus 000607910
ChemSpider 4125