input word = C00052658

Metabolite InformationStructural formula
Name 2-phenylethyl 2-methylbutanoate
FEMA 3632
Formula C13H18O2
Mw 206.13067982
CAS RN 24817-51-4
C_ID C00052658
InChIKey KVKKTLBBYFABAZ-UHFFFAOYSA-N
InChICode InChI=1S/C13H18O2/c1-3-11(2)13(14)15-10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3
SMILES CCC(C)C(OCCC1=CC=CC=C1)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeMentha cardiaca Ref.
PlantaePinaceaePinus nigra Ref.
PlantaeZingiberaceaeAlpinia officinarum Ref.
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OrganismPinus nigra
ReferenceValor, T. et al., Tree Physiol., 37, (2017), 1622-1636.