input word = C00029875

Metabolite InformationStructural formula
Name Caesalpinin K
(+)-Caesalpinin K
Formula C22H32O5
Mw 376.22497413
CAS RN 468733-36-0
C_ID C00029875 ,
InChIKey UAUZSKBZFMNDSP-HBVVVAFJNA-N
InChICode InChI=1S/C22H32O5/c1-12-14-7-9-26-17(14)10-15-19(12)16(24)11-22(25)20(3,4)8-6-18(21(15,22)5)27-13(2)23/h7,9,12,15-16,18-19,24-25H,6,8,10-11H2,1-5H3/t12-,15-,16-,18-,19-,21-,22+/m0/s1
SMILES CC(=O)O[C@H]1CCC(C)(C)[C@]2(O)C[C@H](O)[C@H]3[C@@H](C)c4ccoc4C[C@@H]3[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia bonduc Ref.
PlantaeFabaceaeCaesalpinia crista Ref.
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