input word = C00041956

Metabolite InformationStructural formula
Name Umbellacin D
(+)-Umbellacin D
Formula C23H36O7
Mw 424.2461035
CAS RN 871483-36-2
C_ID C00041956 ,
InChIKey PVGXBCPJSPFGIO-GQNSFIESNA-N
InChICode InChI=1S/C23H36O7/c1-14(24)29-12-15(6-7-17(25)21(2,3)27)16-8-10-22(4)18-9-11-23(22,13-30-18)19(16)20(26)28-5/h6,16-19,25,27H,7-13H2,1-5H3/b15-6-/t16-,17-,18+,19+,22-,23+/m1/s1
SMILES C1[C@@H]([C@H]([C@]23[C@](C1)([C@H](CC2)OC3)C)C(=O)OC)/C(=C\C[C@H](C(C)(C)O)O)/COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePortulacaceae/XeniidaeXenia umbellata Ref.
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OrganismXenia umbellata
ReferenceEl-Gamal,J.Nat.Prod.,69,(2006),338