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 COC(=O)[C@@H]1[C@@H](/C(=CCC(O)C(C)(C)O)COC(C)=O)CC[C@@]2(C)C[C@]1(O)CC[C@@H]2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePortulacaceae/XeniidaeXenia umbellata Ref.
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