input word = C00042503

Metabolite InformationStructural formula
Name Eupakirunsin A
(-)-Eupakirunsin A
Formula C20H24O7
Mw 376.15220312
CAS RN 857502-82-0
C_ID C00042503 ,
InChIKey TZJGMUQMUOOHID-KBTCWGTJNA-N
InChICode InChI=1S/C20H24O7/c1-6-8(2)18(22)24-11-7-9(3)13(21)15-16(25-15)20(5)17(27-20)14-12(11)10(4)19(23)26-14/h6,11-17,21H,3-4,7H2,1-2,5H3/b8-6+/t11-,12-,13+,14+,15+,16+,17-,20-/m1/s1
SMILES C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C/C)CC(=C)[C@H](O)[C@@H]1O[C@@H]1[C@]1(C)O[C@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium kiirunense Ref.
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OrganismEupatorium kiirunense
ReferenceShen,J.Nat.Prod.,68,(2005),745