input word = C00021926

Metabolite InformationStructural formula
Name 7-Isopropyl-5-methylbicyclo[2.2.2]oct-5-en-2-one
Formula C12H18O
Mw 178.1357652
CAS RN 73069-42-8
C_ID C00021926 ,
InChIKey JGWYWWRNBCMLOE-UHFFFAOYNA-N
InChICode InChI=1S/C12H18O/c1-7(2)10-5-9-6-12(13)11(10)4-8(9)3/h4,7,9-11H,5-6H2,1-3H3/t9-,10+,11+/m0/s1
SMILES C1(=O)[C@H]2[C@H](C[C@@H](C1)C(=C2)C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica archangelica Ref.
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