input word = C00053672

Metabolite InformationStructural formula
Name Phellandral
Formula C10H16O
Mw 152.12011513
CAS RN 21391-98-0
C_ID C00053672
InChIKey AEVLWICMAHGAMS-UHFFFAOYSA-N
InChICode InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7-8,10H,4-6H2,1-2H3
SMILES CC(C)C1CC=C(C=O)CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeLigusticum jeholense Ref.
PlantaePinaceaePinus mugo subsp. Mugo Ref.
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OrganismLigusticum jeholense
ReferenceLuo, C. et al., J. Oleo Sci., 68, (2019), 931-937.