input word = C00022559

Metabolite InformationStructural formula
Name 3-Oxo-4beta,8beta,10beta-trihydroxy-15,16-epoxy-cis-clerodane-13(16),14-dien-20,12-olide
Formula C20H26O7
Mw 378.16785319
CAS RN 129349-83-3
C_ID C00022559 ,
InChIKey PDQMTZMQDOINNA-AEBVCPSSNA-N
InChICode InChI=1S/C20H26O7/c1-16-7-8-17(2,23)19(20(16,25)6-4-14(21)18(16,3)24)10-13(27-15(19)22)12-5-9-26-11-12/h5,9,11,13,23-25H,4,6-8,10H2,1-3H3/t13-,16-,17+,18+,19-,20-/m1/s1
SMILES C[C@]12CC[C@](C)(O)[C@]3(CC(c4ccoc4)OC3=O)[C@@]1(O)CCC(=O)[C@]2(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePteronia eenii Ref.
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OrganismPteronia eenii
ReferenceZdero,Phytochem.,29,(1990),1231