input word = C00022561

Metabolite InformationStructural formula
Name 3-Oxo-4beta,10beta-dihydroxy-15,16-epoxy-cis-clerodane-8(17),13(16),14-trien-20,12-olide
Formula C20H24O6
Mw 360.1572885
CAS RN 129349-85-5
C_ID C00022561 ,
InChIKey FYPGPQFZDQDWEI-SSTWKKMKNA-N
InChICode InChI=1S/C20H24O6/c1-12-4-7-17(2)18(3,23)15(21)5-8-20(17,24)19(12)10-14(26-16(19)22)13-6-9-25-11-13/h6,9,11,14,23-24H,1,4-5,7-8,10H2,2-3H3/t14-,17-,18+,19+,20-/m1/s1
SMILES C1C(=O)[C@@]([C@@]2([C@](C1)([C@@]1(C(=C)CC2)C(=O)O[C@H](C1)c1ccoc1)O)C)(O)C
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