input word = C00050708

Metabolite InformationStructural formula
Name 3-Methylhexane
Formula C7H16
Mw 100.12520051
CAS RN 589-34-4
C_ID C00050708
InChIKey VLJXXKKOSFGPHI-UHFFFAOYNA-N
InChICode InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3
SMILES CCCC(C)CC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaHominidaeHomo sapiens (Exhaled breath) Ref.
PlantaeRosaceaeCrataegus pinnatifida Ref.
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