input word = C00012720

Metabolite InformationStructural formula
Name Cnicothamnal
[2R-(2alpha,4aalpha,5beta,8abeta)]-1,2,3,4,4a,5,6,8a-Octahydro-5-hydroxy-4a,8-dimethyl-a-methylene-2-naphthaleneacetaldehyde
Formula C15H22O2
Mw 234.16197995
CAS RN 70855-60-6
C_ID C00012720 ,
InChIKey APFCIEMISOFDGI-FKKFEIHGNA-N
InChICode InChI=1S/C15H22O2/c1-10(9-16)12-5-6-13-14(17)7-4-11(2)15(13,3)8-12/h4,9,12-14,17H,1,5-8H2,2-3H3/t12-,13+,14+,15+/m1/s1
SMILES C1(=CC[C@@H]([C@H]2[C@]1(C[C@@H](CC2)C(=C)C=O)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