input word = C00022558

Metabolite InformationStructural formula
Name 3alpha-Acetoxy-4beta,8beta,10beta-trihydroxy-15,16-epoxy-cis-clerodane-13(16),14-dien-20,12-olide
Formula C22H30O8
Mw 422.19406794
CAS RN 129349-82-2
C_ID C00022558 ,
InChIKey HGPQPFZWIPAIND-LXFREQSUNA-N
InChICode InChI=1S/C22H30O8/c1-13(23)29-16-5-7-22(27)18(2,20(16,4)26)8-9-19(3,25)21(22)11-15(30-17(21)24)14-6-10-28-12-14/h6,10,12,15-16,25-27H,5,7-9,11H2,1-4H3/t15-,16-,18+,19+,20+,21-,22-/m1/s1
SMILES CC(=O)O[C@@H]1CC[C@@]2(O)[C@](C)(CC[C@](C)(O)[C@]23CC(c2ccoc2)OC3=O)[C@@]1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePteronia divaricata Ref.
PlantaeAsteraceaePteronia eenii Ref.
PlantaeAsteraceaePteronia incana Ref.
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