input word = C00052695

Metabolite InformationStructural formula
Name 3-Phenylpropyl acetate
Formula C11H14O2
Mw 178.09937969
CAS RN 122-72-5
C_ID C00052695
InChIKey JRJGKUTZNBZHNK-UHFFFAOYSA-N
InChICode InChI=1S/C11H14O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3
SMILES CC(OCCCC1=CC=CC=C1)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeMandragora autumnalis Ref.
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OrganismMandragora autumnalis
ReferenceArbia, F. et al., Chem. Biodiv., 16, (2019), e1900345