input word = C00035857

Metabolite InformationStructural formula
Name Octane
n-Octane
Formula C8H18
Mw 114.14085057
CAS RN 111-65-9
C_ID C00035857 ,
InChIKey TVMXDCGIABBOFY-UHFFFAOYSA-N
InChICode InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
SMILES CCCCCCCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaHominidaeHomo sapiens (Exhaled breath) Ref.
PlantaeAnacardiaceaeMangifera indica Ref.
PlantaeAnnonaceaeAnnona glabra Ref.
PlantaeApiaceaeAngelica pubescens f.biserrata Ref.
PlantaeAsteraceaeTanacetum longifolium Ref.
PlantaeOleaceaeOlea europaea Ref.
PlantaePlantaginaceaePlantago lanceolata Ref.
PlantaePoaceaeOryza sativa Ref.
PlantaeSolanaceaeSolanum lycopersicum Mill. Ref.
PlantaeZingiberaceaeZingiber officinale Ref.
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