input word = C00061827

Metabolite InformationStructural formula
Name Neocnidilide
Formula C12H18O2
Mw 194.13067982
CAS RN 4567-33-3
C_ID C00061827
InChIKey UPJFTVFLSIQQAV-KOLCDFICSA-N
InChICode InChI=1S/C12H18O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h7,9,11H,2-6,8H2,1H3/t9-,11+/m1/s1
SMILES CCCCC1OC(=O)C2=CCCCC21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeApium graveolens Ref.
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