input word = C00055632

Metabolite InformationStructural formula
Name 2-methylpropyl benzoate
Isobutyl benzoate
Formula C11H14O2
Mw 178.09937969
CAS RN 120-50-3
C_ID C00055632
InChIKey KYZHGEFMXZOSJN-UHFFFAOYSA-N
InChICode InChI=1S/C11H14O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
SMILES CC(C)COC(=O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeChamaemelum nobile Ref.
PlantaeAsteraceaeDittrichia graveolens Ref.
PlantaeMyrtaceaeAcca sellowiana Ref.
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OrganismAcca sellowiana
ReferencePeng, Y. et al., Molecules, 24, (2019), 2053.