input word = C00051275

Metabolite InformationStructural formula
Name Ligustilide
Formula C12H14O2
Mw 190.09937969
CAS RN 4431-01-0
C_ID C00051275
InChIKey IQVQXVFMNOFTMU-FLIBITNWSA-N
InChICode InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7-8H,2-4,6H2,1H3
SMILES CCC/C=C1OC(=O)C2=C1CCC=C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica acutiloba Ref.
PlantaeApiaceaeAngelica sinensis Ref.
PlantaeApiaceaeAngelica spp. Ref.
PlantaeApiaceaeApium graveolens Ref.
PlantaeApiaceaeConioselinum vaginatum Ref.
PlantaeOleaceaeLigustrum brachylobum Ref.
PlantaeOleaceaeLigustrum chuanxiong Ref.
PlantaeOleaceaeLigustrum jeholense Ref.
PlantaeOleaceaeLigustrum officinale Ref.
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