input word = C00007414

Metabolite InformationStructural formula
Name 2-Ethylhexanoic acid
Formula C8H16O2
Mw 144.11502975
CAS RN 149-57-5
C_ID C00007414 ,
InChIKey OBETXYAYXDNJHR-UHFFFAOYNA-N
InChICode InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/t7-/m0/s1
SMILES CCCCC(CC)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeRosaceaePrunus avium Ref.
PlantaeSolanaceaeNicotiana tabacum Ref.
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OrganismNicotiana tabacum
Referencehttps://doi.org/10.1016/j.chroma.2004.03.057