RefMet Compound Details

RefMet IDRM0139532
MW structure3878 (View MW Metabolite Database details)
RefMet name7E,9E,11-Dodecatrienyl acetate
Systematic name7E,9E,11-Dodecatrienyl acetate
SMILESC=C/C=C/C=C/CCCCCCOC(=O)C   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass222.161980 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC14H22O2View other entries in RefMet with this formula
InChIInChI=1S/C14H22O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h3-7H,1,8-13H2,2H3/b5-4+,7-6+
InChIKeyMJZHEIHTZZJYOP-YTXTXJHMSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty esters
Sub ClassWax monoesters
Pubchem CID44256531
ChEBI ID165641
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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