input word = C00020598

Metabolite InformationStructural formula
Name Eupasessifolide A
Formula C20H22O6
Mw 358.14163844
CAS RN 72782-53-7
C_ID C00020598 ,
InChIKey JBEHQABLKASLNK-MRYZIVNPNA-N
InChICode InChI=1S/C20H22O6/c1-5-9(2)18(22)25-13-7-20(8-24-20)16-12(21)6-10(3)14(16)17-15(13)11(4)19(23)26-17/h5-6,13-17H,4,7-8H2,1-3H3/b9-5-/t13-,14+,15-,16-,17+,20+/m1/s1
SMILES C=C1C(=O)O[C@@H]2[C@H]3C(C)=CC(=O)[C@H]3[C@@]3(CO3)C[C@@H](OC(=O)/C(C)=CC)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium sessilifolium Ref.
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OrganismEupatorium sessilifolium
ReferenceBohlmann,Justus Liebigs Ann.Chem.,(1984),162