input word = C00046845

Metabolite InformationStructural formula
Name Perilloxin
(-)-Perilloxin
Formula C16H18O4
Mw 274.12050906
CAS RN 263249-77-0
C_ID C00046845 ,
InChIKey SOTPZHKVANVGAN-YQTOOIBONA-N
InChICode InChI=1S/C16H18O4/c1-16(2,17)14-9-10-8-13(18-3)11-4-6-19-7-5-12(11)15(10)20-14/h4-8,14,17H,9H2,1-3H3/t14-/m1/s1
SMILES C1=Cc2c(c(cc3c2O[C@H](C3)C(C)(O)C)OC)C=CO1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataePerilla frutescens var.acuta Ref.
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