input word = C00042504

Metabolite InformationStructural formula
Name Eupakirunsin B
(-)-Eupakirunsin B
Formula C20H26O6
Mw 362.17293856
CAS RN 857502-83-1
C_ID C00042504 ,
InChIKey QUQPZVOBOIBITF-OVUKZWBENA-N
InChICode InChI=1S/C20H26O6/c1-6-11(2)18(22)26-16-10-20(5,24)8-7-14(21)12(3)9-15-17(16)13(4)19(23)25-15/h6-9,14-17,21,24H,4,10H2,1-3,5H3/b8-7-,11-6+,12-9+/t14-,15+,16-,17+,20+/m1/s1
SMILES C=C1C(=O)O[C@@H]2/C=C(C)[C@H](O)/C=C[C@](C)(O)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12
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