input word = C00022454

Metabolite InformationStructural formula
Name 6beta-Hydroxyisochiliolide lactone
Formula C20H24O6
Mw 360.1572885
CAS RN 132536-50-6
C_ID C00022454 ,
InChIKey UAPYBFIBSYIWBS-BGZPMVMFNA-N
InChICode InChI=1S/C20H24O6/c1-11-8-14(21)18(3)17(2)5-6-20(18,26-15(17)22)19(11)9-13(25-16(19)23)12-4-7-24-10-12/h4,7,10-11,13-14,21H,5-6,8-9H2,1-3H3/t11-,13+,14+,17-,18+,19-,20-/m0/s1
SMILES [C@@]123[C@]([C@@H](C[C@@H]([C@]41C(=O)O[C@H](C4)c1ccoc1)C)O)([C@](CC2)(C)C(=O)O3)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeConyza pyrifolia Ref.
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OrganismConyza pyrifolia
ReferenceZdero,Phytochem.,29,(1990),3167