input word = C00042326

Metabolite InformationStructural formula
Name Caesalpinin E
(+)-Caesalpinin E
Formula C25H34O8
Mw 462.22536806
CAS RN 817167-40-1
C_ID C00042326 ,
InChIKey FSTCFKSVJSWZKZ-GKNAPYIONA-N
InChICode InChI=1S/C25H34O8/c1-13(26)32-19-7-9-23(3,4)25(29)20(33-14(2)27)11-16-17(24(19,25)5)12-18-15(8-10-31-18)21(16)22(28)30-6/h8,10,16-17,19-21,29H,7,9,11-12H2,1-6H3/t16-,17-,19-,20-,21+,24-,25+/m0/s1
SMILES COC(=O)[C@@H]1c2ccoc2C[C@H]2[C@H]1C[C@H](OC(C)=O)[C@@]1(O)C(C)(C)CC[C@H](OC(C)=O)[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia crista Ref.
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OrganismCaesalpinia crista
ReferenceLinn,J.Nat.Prod.,68,(2005),706