input word = C00056271

Metabolite InformationStructural formula
Name Valerophenone
Formula C11H14O
Mw 162.10446507
CAS RN 1009-14-9
C_ID C00056271
InChIKey XKGLSKVNOSHTAD-UHFFFAOYSA-N
InChICode InChI=1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
SMILES CCCCC(C1=CC=CC=C1)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeApium graveolens Ref.
PlantaeApiaceaeLigusticum jeholense Ref.
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OrganismLigusticum jeholense
ReferenceLuo, C. et al., J. Oleo Sci., 68, (2019), 931-937.