input word = C00062409

Metabolite InformationStructural formula
Name 3-n-Butylphthalide
Formula C12H14O2
Mw 190.09937969
CAS RN 6066-49-5
C_ID C00062409
InChIKey HJXMNVQARNZTEE-UHFFFAOYSA-N
InChICode InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3
SMILES CCCCC1OC(=O)c2ccccc21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeApium graveolens Ref.
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