input word = C00001254

Metabolite InformationStructural formula
Name Heptan-2-one
Methyl-n-pentyl ketone
2-Heptanone
Formula C7H14O
Mw 114.10446507
CAS RN 110-43-0
C_ID C00001254 ,
InChIKey CATSNJVOTSVZJV-UHFFFAOYSA-N
InChICode InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3
SMILES CCCCCC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFoeniculum vulgare Ref.
PlantaeAraceaeArum maculatum Ref.
PlantaeLaminariaceaeLaminaria japonica Ref.
PlantaeMyrtaceaePsidium guajava Ref.
PlantaeMyrtaceaeSyzygium aromaticum Ref.
PlantaeOrchidaceaeOphrys spp. Ref.
PlantaeOxalidaceaeAverrhoa carambola Ref.
PlantaeRubiaceaeCoffea arabica Ref.
PlantaeSolanaceaeMandragora autumnalis Ref.
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