input word = C00039137

Metabolite InformationStructural formula
Name epsilon-Caesalpin
(+)-epsilon-Caesalpin
Formula C24H34O7
Mw 434.23045344
CAS RN 18326-02-8
C_ID C00039137 ,
InChIKey SUJKNDTZWVVCQL-DSIAUZAMNA-N
InChICode InChI=1S/C24H34O7/c1-13(25)30-19-12-21(3,4)24(28)9-7-15-17(22(24,5)20(19)31-14(2)26)11-18-16(8-10-29-18)23(15,6)27/h8,10,15,17,19-20,27-28H,7,9,11-12H2,1-6H3/t15-,17+,19+,20+,22+,23+,24-/m1/s1
SMILES [C@H]1([C@]2([C@](C(C[C@@H]1OC(=O)C)(C)C)(CC[C@@H]1[C@@H]2Cc2c([C@]1(O)C)cco2)O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia bonduc Ref.
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OrganismCaesalpinia bonduc
ReferencePudhom,J.Nat.Prod.,70,(2007),1542