input word = C00022551

Metabolite InformationStructural formula
Name 7beta,8beta-Epoxyisochiliolide lactone
Formula C20H22O6
Mw 358.14163844
CAS RN 132215-14-6
C_ID C00022551 ,
InChIKey LHVHLTYUKQOIQB-TXASWSQENA-N
InChICode InChI=1S/C20H22O6/c1-16-5-6-20(26-14(16)21)17(16,2)9-13-18(3,25-13)19(20)8-12(24-15(19)22)11-4-7-23-10-11/h4,7,10,12-13H,5-6,8-9H2,1-3H3/t12-,13+,16+,17-,18+,19+,20+/m1/s1
SMILES [C@@]123[C@](C[C@H]4[C@]([C@]51C[C@H](c1ccoc1)OC5=O)(C)O4)([C@@](CC2)(C(=O)O3)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeConyza schimperi Ref.
PlantaeAsteraceaeMicroglossa pyrrhopappa Ref.
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OrganismConyza schimperi
ReferenceZdero,Phytochem.,29,(1990),3167