input word = C00030881

Metabolite InformationStructural formula
Name Octyl 2-methylbutyrate
Formula C13H26O2
Mw 214.19328007
CAS RN 29811-50-5
C_ID C00030881 ,
InChIKey BCOJVEMHTBSAOE-UHFFFAOYNA-N
InChICode InChI=1S/C13H26O2/c1-4-6-7-8-9-10-11-15-13(14)12(3)5-2/h12H,4-11H2,1-3H3/t12-/m1/s1
SMILES C(CCCCCCC)OC(=O)[C@H](C)CC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAnthemis aciphylla BOISS.var.discoidea BOISS Ref.
zoom in