input word = C00035842

Metabolite InformationStructural formula
Name iso-Acorone
Formula C15H24O2
Mw 236.17763001
CAS RN 6168-64-5
C_ID C00035842 ,
InChIKey AGUISGUERLMHFF-VSCNWDDUNA-N
InChICode InChI=1S/C15H24O2/c1-9(2)14-12(16)7-11(4)15(14)6-5-10(3)13(17)8-15/h9-11,14H,5-8H2,1-4H3/t10-,11-,14-,15-/m0/s1
SMILES [C@@H]1(CC[C@]2(CC1=O)[C@H](CC(=O)[C@@H]2C(C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcoraceaeAcorus calanus L. Ref.
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