input word = C00041961

Metabolite InformationStructural formula
Name Umbellacin I
(-)-Umbellacin I
Formula C23H38O8
Mw 442.25666819
CAS RN 871483-43-1
C_ID C00041961 ,
InChIKey YFLWESDPLOQEEL-NJMBXJECNA-N
InChICode InChI=1S/C23H38O8/c1-14(24)31-12-15(6-7-17(25)21(2,3)28)16-8-10-22(4)13-23(29,11-9-18(22)26)19(16)20(27)30-5/h6,16-19,25-26,28-29H,7-13H2,1-5H3/b15-6-/t16-,17+,18+,19+,22+,23-/m1/s1
SMILES [C@@H]1(CC[C@@]2([C@@H]([C@H](CC[C@@]1(C)C2)/C(=C\C[C@@H](C(C)(O)C)O)/COC(=O)C)C(=O)OC)O)O
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