input word = C00045598

Metabolite InformationStructural formula
Name 9-Deoxy-7,8-epoxyxeniloide E
Formula C20H28O4
Mw 332.19875938
CAS RN 479067-61-3
C_ID C00045598 ,
InChIKey HBFMHROJNZWLBE-ILGNJOIENA-N
InChICode InChI=1S/C20H28O4/c1-12-5-7-16-20(4,24-16)10-9-14-13(11-22-18(21)17(12)14)6-8-15-19(2,3)23-15/h6,14-17H,1,5,7-11H2,2-4H3/b13-6-/t14-,15+,16+,17+,20+/m1/s1
SMILES O1C/C(=C/C[C@H]2C(O2)(C)C)/[C@@H]2[C@@H](C1=O)C(=C)CC[C@H]1[C@@](CC2)(C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePortulacaceae/XeniidaeXenia umbellata Ref.
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OrganismXenia umbellata
ReferenceDuh,J.Nat.Prod.,65,(2002),1882