input word = C00059188

Metabolite InformationStructural formula
Name 2-Octanone
Formula C8H16O
Mw 128.12011513
CAS RN 111-13-7
C_ID C00059188
InChIKey ZPVFWPFBNIEHGJ-UHFFFAOYSA-N
InChICode InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3
SMILES CCCCCCC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeMangifera indica Ref.
PlantaeCaricaceaeCarica papaya Ref.
PlantaePoaceaeCymbopogon citratus Ref.
PlantaeRutaceaeRuta graveolens Ref.
PlantaeSolanaceaeSolanum lycopersicum Ref.
PlantaeZingiberaceaeZingiber officinale Ref.
--Caffea sp. Ref.
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