input word = C00062518

Metabolite InformationStructural formula
Name 5-Methylhexanoic acid
Formula C7H14O2
Mw 130.09937969
CAS RN 628-46-6
C_ID C00062518
InChIKey MHPUGCYGQWGLJL-UHFFFAOYSA-N
InChICode InChI=1S/C7H14O2/c1-6(2)4-3-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
SMILES CC(C)CCCC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeNicotiana tabacum Ref.
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OrganismNicotiana tabacum
Referencehttps://doi.org/10.1016/j.chroma.2004.03.057