input word = C00039091

Metabolite InformationStructural formula
Name Ekeberin C3
(-)-Ekeberin C3
Formula C29H34O9
Mw 526.22028269
CAS RN 1012326-56-5
C_ID C00039091 ,
InChIKey GXYWZNJCGCCUAH-RHJMNXHNNA-N
InChICode InChI=1S/C29H34O9/c1-14(30)37-21(26(34)35-6)22-27(2,3)23(32)17-11-16-18(29(22,5)24(17)33)7-9-28(4)19(16)12-20(31)38-25(28)15-8-10-36-13-15/h8,10,13,17-18,21-22,25H,7,9,11-12H2,1-6H3/t17-,18-,21+,22-,25-,28+,29+/m0/s1
SMILES COC(=O)[C@H](OC(C)=O)[C@H]1C(C)(C)C(=O)[C@@H]2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]3[C@@]1(C)C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeEkebergia capensis Ref.
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