input word = C00036425

Metabolite InformationStructural formula
Name 1beta,2beta-Epoxy-3beta,4alpha,10alpha-trihydroxyguaia-11(13)-en-12,6alpha-olide
Formula C15H20O6
Mw 296.12598837
CAS RN 115458-71-4
C_ID C00036425 ,
InChIKey WVTVTJZYCQMZFX-PZOCMRSZNA-N
InChICode InChI=1S/C15H20O6/c1-6-7-4-5-13(2,18)15-9(8(7)20-12(6)17)14(3,19)10(16)11(15)21-15/h7-11,16,18-19H,1,4-5H2,2-3H3/t7-,8-,9-,10-,11+,13+,14-,15-/m0/s1
SMILES [C@H]12[C@@H](CC[C@@]([C@]34[C@@H]1[C@]([C@H]([C@H]3O4)O)(C)O)(C)O)C(=C)C(=O)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAjania fruticulosa Ref.
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OrganismAjania fruticulosa
ReferenceMeng,Phytochem.,58,(2001),1141