input word = C00055629

Metabolite InformationStructural formula
Name 2-Methylbutyl benzoate
Formula C12H16O2
Mw 192.11502975
CAS RN 52513-03-8
C_ID C00055629
InChIKey PYZHESNNAPENLQ-UHFFFAOYSA-N
InChICode InChI=1S/C12H16O2/c1-3-10(2)9-14-12(13)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
SMILES CCC(C)COC(C1=CC=CC=C1)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeDittrichia graveolens Ref.
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