input word = C00055911

Metabolite InformationStructural formula
Name Hexyl benzoate
Formula C13H18O2
Mw 206.13067982
CAS RN 6789-88-4
C_ID C00055911
InChIKey UUGLJVMIFJNVFH-UHFFFAOYSA-N
InChICode InChI=1S/C13H18O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
SMILES CCCCCCOC(=O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeDianthus caryophyllus Ref.
PlantaeMyrtaceaeAcca sellowiana Ref.
PlantaeOleaceaeJasminum multiflorum Ref.
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OrganismAcca sellowiana
ReferencePeng, Y. et al., Molecules, 24, (2019), 2053.