input word = C00048343

Metabolite InformationStructural formula
Name Caesalpinolide E
(-)-Caesalpinolide E
Formula C22H32O5
Mw 376.22497413
CAS RN 1132772-46-3
C_ID C00048343 ,
InChIKey SBMJOOYWCLPOPY-KJPYOEJGNA-N
InChICode InChI=1S/C22H32O5/c1-12-14-9-17(26-13(2)23)19-20(3,4)7-6-8-21(19,5)16(14)11-22(25)15(12)10-18(24)27-22/h10,12,14,16-17,19,25H,6-9,11H2,1-5H3/t12-,14+,16+,17-,19+,21-,22-/m1/s1
SMILES CC(=O)O[C@@H]1C[C@H]2[C@@H](C)C3=CC(=O)O[C@]3(O)C[C@@H]2[C@@]2(C)CCCC(C)(C)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia bonduc Ref.
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