input word = C00041957

Metabolite InformationStructural formula
Name Umbellacin E
(+)-Umbellacin E
Formula C23H36O7
Mw 424.2461035
CAS RN 871483-37-3
C_ID C00041957 ,
InChIKey SKUXBRSPQCLBOB-IBNZCEQYNA-N
InChICode InChI=1S/C23H36O7/c1-14(24)30-13-16(7-8-18(25)22(2,3)28)17-10-11-23(4)12-15(6-9-19(23)26)20(17)21(27)29-5/h6-7,17-20,25-26,28H,8-13H2,1-5H3/b16-7-/t17-,18-,19+,20+,23+/m1/s1
SMILES [C@@H]1(CC=C2[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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePortulacaceae/XeniidaeXenia umbellata Ref.
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