input word = C00041960

Metabolite InformationStructural formula
Name Umbellacin H
(+)-Umbellacin H
Formula C23H36O7
Mw 424.2461035
CAS RN 871483-42-0
C_ID C00041960 ,
InChIKey URLHJBAPTRSOSU-SGPFYJCZNA-N
InChICode InChI=1S/C23H36O7/c1-14-7-10-19-23(5,30-19)12-11-17(20(14)21(26)28-6)16(13-29-15(2)24)8-9-18(25)22(3,4)27/h8,17-20,25,27H,1,7,9-13H2,2-6H3/b16-8-/t17-,18-,19+,20+,23+/m1/s1
SMILES C=C1CC[C@@H]2O[C@@]2(C)CC[C@H](/C(=CCC(O)C(C)(C)O)COC(C)=O)[C@H]1C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePortulacaceae/XeniidaeXenia umbellata Ref.
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