input word = C00012802

Metabolite InformationStructural formula
Name Isoacolamone
[2S-(2alpha,4aalpha,8abeta)]-3,4,4a,5,6,8a-Hexahydro-4a,8-dimethyl-2-(1-methylethyl)-1(2H)-naphthalenone
Formula C15H24O
Mw 220.18271539
CAS RN 39012-15-2
C_ID C00012802 ,
InChIKey OUIUORSUNABXEN-BCGKOALKNA-N
InChICode InChI=1S/C15H24O/c1-10(2)12-7-9-15(4)8-5-6-11(3)13(15)14(12)16/h6,10,12-13H,5,7-9H2,1-4H3/t12-,13+,15+/m0/s1
SMILES C1(=CCC[C@]2([C@H]1C(=O)[C@@H](CC2)C(C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcoraceaeAcorus calamus Ref.
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