input word = C00062246

Metabolite InformationStructural formula
Name Caryophyllene acetate
Formula C17H28O2
Mw 264.20893014
CAS RN 57082-24-3
C_ID C00062246
InChIKey SJDDHMSVZMBJPH-UHFFFAOYSA-N
InChICode InChI=1S/C17H28O2/c1-12(18)19-17-8-5-7-16(4,11-17)9-6-13-14(17)10-15(13,2)3/h13-14H,5-11H2,1-4H3/t13-,14+,16+,17-/m1/s1
SMILES CC(=O)OC12CCCC(C)(CCC3C1CC3(C)C)C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeMyrtus communis Ref.
zoom in