input word = C00012459

Metabolite InformationStructural formula
Name (Z,E,E)-5,8,8-Trimethyl-1,5,9-cycloundecatriene-1-carboxaldehyde
alpha-Humulen-14-al
Formula C15H22O
Mw 218.16706532
CAS RN 75678-91-0
C_ID C00012459 ,
InChIKey GKVMVBNMYADZEB-ZMYZPJLPSA-N
InChICode InChI=1S/C15H22O/c1-13-6-4-7-14(12-16)8-5-10-15(2,3)11-9-13/h5,7,9-10,12H,4,6,8,11H2,1-3H3/b10-5+,13-9+,14-7-
SMILES C\1(=C/CC(/C=C/C/C(=C/CC1)/C=O)(C)C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLychnophora columnaris Ref.
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