input word = C00054900

Metabolite InformationStructural formula
Name 8,9-Dehydronootkatone
Formula C15H20O
Mw 216.15141526
CAS RN 5090-63-1
C_ID C00054900
InChIKey PHRADXUJOZKVDN-JMSVASOKSA-N
InChICode InChI=1S/C15H20O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h5-6,8,11-12H,1,7,9H2,2-4H3/t11-,12-,15+/m1/s1
SMILES C=C(C)[C@@H]1C=CC2=CC(=O)C[C@@H](C)[C@]2(C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus paradisi Ref.
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OrganismCitrus paradisi
ReferenceMacLeod, W.D.Tet. Lett., 1965, 6, 4779-4783 (FEMA 4091, synth, pmr, uv)