input word = C00034780

Metabolite InformationStructural formula
Name 9alpha-Acetoxyartecanin
Formula C17H20O7
Mw 336.12090299
CAS RN 874459-51-5
C_ID C00034780 ,
InChIKey WDDXTILZUUVECD-YTGNAFRINA-N
InChICode InChI=1S/C17H20O7/c1-6-8-5-9(21-7(2)18)16(4,20)17-11(10(8)22-14(6)19)15(3)12(23-15)13(17)24-17/h8-13,20H,1,5H2,2-4H3/t8-,9+,10-,11-,12-,13+,15+,16+,17-/m0/s1
SMILES [C@@H]12[C@@H]3[C@@H](C[C@H]([C@@]([C@]41[C@@H]([C@H]1[C@]2(C)O1)O4)(C)O)OC(=O)C)C(=C)C(=O)O3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAchillea clavennae Ref.
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OrganismAchillea clavennae
ReferenceTrifunovic,Phytochem.,67,(2006),887