input word = C00045600

Metabolite InformationStructural formula
Name 9-Deoxyxeniloide E
(+)-9-Deoxyxeniloide E
Formula C20H28O3
Mw 316.20384476
CAS RN 479067-60-2
C_ID C00045600 ,
InChIKey SLBDTTJOIFSXFG-JEUTXJICNA-N
InChICode InChI=1S/C20H28O3/c1-13-6-5-7-14(2)18-16(10-8-13)15(12-22-19(18)21)9-11-17-20(3,4)23-17/h6,9,16-18H,2,5,7-8,10-12H2,1,3-4H3/b13-6-,15-9-/t16-,17-,18+/m1/s1
SMILES C1[C@@H]2/C(=C\C[C@@H]3C(O3)(C)C)/COC(=O)[C@H]2C(=C)CC/C=C(\C1)/C
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