input word = C00053436

Metabolite InformationStructural formula
Name FEMA 2646
Linalyl 3-methylbutanoate
Formula C15H26O2
Mw 238.19328007
CAS RN 1118-27-0
C_ID C00053436
InChIKey WCDGWAIZRYMVOW-UHFFFAOYSA-N
InChICode InChI=1S/C15H26O2/c1-7-15(6,10-8-9-12(2)3)17-14(16)11-13(4)5/h7,9,13H,1,8,10-11H2,2-6H3
SMILES C=CC(C)(CCC=C(C)C)OC(=O)CC(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCannabaceaeHumulus lupulus Ref.
PlantaeLabiataeOcimum basilicum Ref.
PlantaeLabiataeSalvia officinalis Ref.
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OrganismSalvia officinalis
ReferenceAldrich Library of FT-IR Spectra, 1st edn.,1985, 1, 148C (ir)