input word = C00022550

Metabolite InformationStructural formula
Name 8beta-Hydroxyisochiliolide lactone
Formula C20H24O6
Mw 360.1572885
CAS RN 132215-13-5
C_ID C00022550 ,
InChIKey GXVJLBUSARFIRR-ZUUMAKGWNA-N
InChICode InChI=1S/C20H24O6/c1-16-5-8-20(26-14(16)21)17(16,2)6-7-18(3,23)19(20)10-13(25-15(19)22)12-4-9-24-11-12/h4,9,11,13,23H,5-8,10H2,1-3H3/t13-,16+,17-,18+,19-,20+/m1/s1
SMILES C[C@]12CC[C@](C)(O)[C@]3(C[C@@H](c4ccoc4)OC3=O)[C@]13CC[C@@]2(C)C(=O)O3
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