input word = C00046052

Metabolite InformationStructural formula
Name Isoxeniolide A
(+)-Isoxeniolide A
Formula C20H28O4
Mw 332.19875938
CAS RN 71117-53-8
C_ID C00046052 ,
InChIKey ZHNTWXWAMWPYNI-XAJRHHSXNA-N
InChICode InChI=1S/C20H28O4/c1-13-7-8-16-17(6-5-9-20(3,4)23)19(22)24-12-18(16)14(2)11-15(21)10-13/h5-6,9-10,15-16,18,21,23H,2,7-8,11-12H2,1,3-4H3/b9-5+,13-10-,17-6-/t15-,16+,18-/m0/s1
SMILES C1C[C@H]2[C@H](C(=C)C[C@H](/C=C\1/C)O)COC(=O)/C/2=C\C=C\C(C)(O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePortulacaceae/XeniidaeXenia sp. Ref.
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OrganismXenia sp.
ReferenceAnta,J.Nat.Prod.,65,(2002),766