input word = C00053664

Metabolite InformationStructural formula
Name Pentane
Formula C5H12
Mw 72.09390038
CAS RN 109-66-0
C_ID C00053664
InChIKey OFBQJSOFQDEBGM-UHFFFAOYSA-N
InChICode InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
SMILES CCCCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeCoffea arabica Ref.
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OrganismCoffea arabica
Referencede Melo Pereira, G. V. et al., Food Chemistry 272, (2019), 441-452.