input word = C00063078

Metabolite InformationStructural formula
Name trans-Ligustilide
Formula C12H14O2
Mw 190.09937969
CAS RN 81944-08-3
C_ID C00063078
InChIKey IQVQXVFMNOFTMU-UHFFFAOYSA-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/b11-8+
SMILES CCCC=C1OC(=O)C2=C1CCC=C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeApium graveolens Ref.
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