input word = C00050696

Metabolite InformationStructural formula
Name 3-Keto-beta-ionone
Formula C13H18O2
Mw 206.13067982
CAS RN 27185-77-9
C_ID C00050696
InChIKey OBHGOXFSRVNKBS-UHFFFAOYSA-N
InChICode InChI=1S/C13H18O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h5-6H,7-8H2,1-4H3
SMILES CC(=O)C=CC1=C(C)C(=O)CCC1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeDaucus carota Ref.
PlantaeTheaceaeCamellia sinensis Ref.
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OrganismDaucus carota
Referencehttps://doi.org/10.1021/jf030212q