input word = C00033869

Metabolite InformationStructural formula
Name Gelomulide U
(-)-Gelomulide U
Formula C22H30O6
Mw 390.20423869
CAS RN 1005212-08-7
C_ID C00033869 ,
InChIKey LQBVAPXSEOYEIN-XZCXZMRVNA-N
InChICode InChI=1S/C22H30O6/c1-11-17-13(28-19(11)25)10-15-21(5)14(6-9-22(15,26)18(17)24)20(3,4)8-7-16(21)27-12(2)23/h7-8,13-16,18,24,26H,6,9-10H2,1-5H3/t13-,14-,15+,16-,18+,21-,22+/m1/s1
SMILES [C@H]12C(=C(C(=O)O2)C)[C@@H]([C@]2([C@@H](C1)[C@]1([C@H](CC2)C(C=C[C@H]1OC(=O)C)(C)C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeGelonium aequoreum Ref.
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OrganismGelonium aequoreum
ReferenceLee,Phytochem.,69,(2008),276