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 CC1(C)C(=O)C=C[C@@]2(C)C1=C(O)C(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@]321
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeCedrela toona Ref.
PlantaeMeliaceaeWalsura yunnanensis Ref.
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OrganismWalsura yunnanensis
ReferenceLuo,J.Nat.Prod.,63,(2000),947