input word = C00054187

Metabolite InformationStructural formula
Name 3-Butylidene-4,5,6,7-tetrahydro-1(3H)-isobenzofuranone
Formula C12H16O2
Mw 192.11502975
CAS RN 111275-19-5
C_ID C00054187
InChIKey YHOZXUUDDDOBKS-FLIBITNWSA-N
InChICode InChI=1S/C12H16O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h8H,2-7H2,1H3/b11-8-
SMILES CCC/C=C1OC(C2=CCCCC2)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica sinensis Ref.
PlantaeApiaceaeApium graveolens Ref.
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OrganismApium graveolens
ReferenceBerlingozzi, S. et al., Gazz. Chim. Ital., 1927, 57, 255-264 (synth)