input word = C00012841

Metabolite InformationStructural formula
Name alpha-Rotunol
[4aS-(4aalpha,6beta,8abeta)]-4a,5,6,7,8,8a-hexahydro-4a-hydroxy-4,8a-dimethyl-6-(1-methylethenyl)-2(1H)-naphthalenone
Formula C15H22O2
Mw 234.16197995
CAS RN 24405-56-9
C_ID C00012841 ,
InChIKey WDFLKCAWQQMJCA-NXMPPLNINA-N
InChICode InChI=1S/C15H22O2/c1-10(2)12-5-6-14(4)9-13(16)7-11(3)15(14,17)8-12/h7,12,17H,1,5-6,8-9H2,2-4H3/t12-,14+,15-/m1/s1
SMILES C1(=CC(=O)C[C@]2([C@]1(C[C@@H](CC2)C(=C)C)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCyperaceaeCyperus rotundus Ref.
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