input word = C00012719

Metabolite InformationStructural formula
Name [2R-(2alpha,4aalpha,5beta,8abeta)]-1,2,3,4,4a,5,6,8a-Octahydro-5-hydroxy-4a,8-dimethyl-b-methylene-2-naphthaleneethanol
Cnicothamnol
Formula C15H24O2
Mw 236.17763001
CAS RN 70855-58-2
C_ID C00012719 ,
InChIKey PAZWPXLXMHFIMX-FKKFEIHGNA-N
InChICode InChI=1S/C15H24O2/c1-10(9-16)12-5-6-13-14(17)7-4-11(2)15(13,3)8-12/h4,12-14,16-17H,1,5-9H2,2-3H3/t12-,13+,14+,15+/m1/s1
SMILES C1(=CC[C@@H]([C@H]2[C@]1(C[C@@H](CC2)C(=C)CO)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCnicothamnus lorentzii Ref.
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OrganismCnicothamnus lorentzii
ReferenceBohlmann,Phytochem.,18,(1979),95