input word = C00050676

Metabolite InformationStructural formula
Name 2-Methyl octane
Formula C9H20
Mw 128.15650064
CAS RN 3221-61-2
C_ID C00050676
InChIKey ZUBZATZOEPUUQF-UHFFFAOYSA-N
InChICode InChI=1S/C9H20/c1-4-5-6-7-8-9(2)3/h9H,4-8H2,1-3H3
SMILES CCCCCCC(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica pubescens f.biserrata Ref.
PlantaeHypericaceaeHypericum perforatum Ref.
PlantaeRosaceaeCrataegus pinnatifida Ref.
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OrganismCrataegus pinnatifida
ReferenceYin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993)