input word = C00046659

Metabolite InformationStructural formula
Name Cedrelone
Formula C26H30O5
Mw 422.20932407
CAS RN 1254-85-9
C_ID C00046659 ,
InChIKey OQMUOVSEPOBWMK-YFUXXUIJNA-N
InChICode InChI=1S/C26H30O5/c1-22(2)17(27)7-9-23(3)16-6-10-24(4)15(14-8-11-30-13-14)12-18-26(24,31-18)25(16,5)21(29)19(28)20(22)23/h7-9,11,13,15-16,18,28H,6,10,12H2,1-5H3/t15-,16+,18+,23-,24-,25?,26+/m0/s1
SMILES C1=C[C@@]2(C(=C(C(=O)[C@@]3([C@@H]2CC[C@@]2([C@]43O[C@@H]4C[C@H]2c2cocc2)C)C)O)C(C1=O)(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeCedrela toona Ref.
PlantaeMeliaceaeWalsura yunnanensis Ref.
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OrganismCedrela toona
ReferenceNagasampagi,Phytochem.,14,(1975),1673

Parihar,J.Indian Chem.Soc.,27,(1950),77