input word = C00021326

Metabolite InformationStructural formula
Name Triflorestevione
Formula C25H36O6
Mw 432.25118888
CAS RN 115794-33-7
C_ID C00021326 ,
InChIKey GWIHCVOQQVSWBT-CURFMVGPNA-N
InChICode InChI=1S/C25H36O6/c1-9-12(3)22(28)30-19-20(27)25(8)16-14(5)11-15(26)17(25)18(16)24(6,7)21(19)31-23(29)13(4)10-2/h9-10,14,16-21,27H,11H2,1-8H3/b12-9+,13-10+/t14-,16+,17-,18+,19+,20-,21-,25-/m1/s1
SMILES C1[C@H]([C@H]2[C@H]3[C@@H](C1=O)[C@@]2([C@@H]([C@@H]([C@H](C3(C)C)OC(=O)/C(=C/C)/C)OC(=O)/C(=C/C)/C)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeStevia triflora Ref.
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OrganismStevia triflora
ReferenceAmaro,Phytochem.,27,(1988),1409