input word = C00055754

Metabolite InformationStructural formula
Name Caryophylla-2(12),6(13)-dien-5-one
Formula C15H22O
Mw 218.16706532
CAS RN 61824-43-9
C_ID C00055754
InChIKey ZZHHIRFCRIFTAN-CHWSQXEVSA-N
InChICode InChI=1S/C15H22O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h12-13H,1-2,5-9H2,3-4H3/t12-,13-/m1/s1
SMILES C=C1CC[C@@H]2[C@H](CC2(C)C)C(=C)CCC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTanacetum macrophyllum Ref.
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