input word = C00022557

Metabolite InformationStructural formula
Name 3alpha,4beta,8beta,10beta-Tetrahydroxy-15,16-epoxy-cis-clerodane-13(16),14-dien-20,12-olide
Formula C20H28O7
Mw 380.18350325
CAS RN 129349-81-1
C_ID C00022557 ,
InChIKey WLUNQOQCSYHZAU-RHQJFTBSNA-N
InChICode InChI=1S/C20H28O7/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/h5,9,11,13-14,21,23-25H,4,6-8,10H2,1-3H3/t13-,14-,16+,17+,18+,19-,20-/m1/s1
SMILES C[C@]12CC[C@](C)(O)[C@]3(CC(c4ccoc4)OC3=O)[C@@]1(O)CC[C@@H](O)[C@]2(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePteronia eenii Ref.
PlantaeAsteraceaePteronia incana Ref.
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