input word = C00039090

Metabolite InformationStructural formula
Name Ekeberin C2
Formula C32H40O8
Mw 552.27231825
CAS RN 1012326-55-4
C_ID C00039090 ,
InChIKey LWYAUKBIVFFRJL-GPOCAGIPNA-N
InChICode InChI=1S/C32H40O8/c1-8-17(2)29(36)40-28-20-13-19-21(32(6,26(20)35)23(30(28,3)4)15-24(33)37-7)9-11-31(5)22(19)14-25(34)39-27(31)18-10-12-38-16-18/h8,10,12,16,20-21,23,27-28H,9,11,13-15H2,1-7H3/b17-8-/t20-,21+,23+,27+,28-,31-,32-/m1/s1
SMILES [C@@H]1(C([C@@H]([C@]2([C@@H]3C(=C4[C@@](CC3)([C@@H](OC(=O)C4)c3ccoc3)C)C[C@@H]1C2=O)C)CC(=O)OC)(C)C)OC(=O)/C(=C\C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeEkebergia capensis Ref.
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OrganismEkebergia capensis
ReferenceMurata,J.Nat.Prod.,71,(2008),167