input word = C00054955

Metabolite InformationStructural formula
Name 4-Acoren-3-one
Formula C15H24O
Mw 220.18271539
CAS RN 5956-05-8
C_ID C00054955
InChIKey HBTHUBMUAHAWBC-YDHLFZDLSA-N
InChICode InChI=1S/C15H24O/c1-10(2)13-6-5-12(4)15(13)8-7-11(3)14(16)9-15/h7,10,12-13H,5-6,8-9H2,1-4H3/t12-,13-,15-/m0/s1
SMILES C[C@@H](CC[C@H]1C(C)C)[C@]21CC=C(C)C(C2)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcoraceaeAcorus calamus Ref.
PlantaeApiaceaeDaucus carota Ref.
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