input word = C00012007

Metabolite InformationStructural formula
Name Isoshyobunone
iso-Shyobunone
(1S,4S)-2-Isopropylidene-1-vinyl-p-menthan-3-one
Formula C15H24O
Mw 220.18271539
CAS RN 21698-46-4
C_ID C00012007 ,
InChIKey YMIHAYABXZORPU-OPNJQGHXNA-N
InChICode InChI=1S/C15H24O/c1-7-15(6)9-8-12(10(2)3)14(16)13(15)11(4)5/h7,10,12H,1,8-9H2,2-6H3/t12-,15+/m0/s1
SMILES C1(=O)C(=C(C)C)[C@@](CC[C@H]1C(C)C)(C=C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcoraceaeAcorus calamus Ref.
PlantaeAcoraceaeAcorus calanus L. Ref.
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OrganismAcorus calanus L.
ReferenceBertea,Phytochem.,66,(2005),507