input word = C00030882

Metabolite InformationStructural formula
Name 2-Octyl 3-methyl butyrate
Octyl isovalerate
Formula C13H26O2
Mw 214.19328007
CAS RN 41243-73-6
C_ID C00030882 ,
InChIKey IYALVKCBXNBPSJ-UHFFFAOYNA-N
InChICode InChI=1S/C13H26O2/c1-6-8-10(3)11(4)12(5)15-13(14)9-7-2/h10-12H,6-9H2,1-5H3/t10-,11-,12+/m0/s1
SMILES C(=O)(O[C@@H]([C@H]([C@H](CCC)C)C)C)CCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAnthemis aciphylla BOISS.var.discoidea BOISS Ref.
PlantaeSolanaceaeMandragora autumnalis Ref.
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OrganismMandragora autumnalis
ReferenceArbia, F. et al., Chem. Biodiv., 16, (2019), e1900345