input word = C00029874

Metabolite InformationStructural formula
Name Caesalpinin J
(+)-Caesalpinin J
Formula C25H32O9
Mw 476.20463262
CAS RN 853302-52-0
C_ID C00029874 ,
InChIKey BUWTXIVQINCIKO-UFLDEBSENA-N
InChICode InChI=1S/C25H32O9/c1-12(26)33-20-19-15(11-16-14(8-10-32-16)18(19)22(29)31-6)24(5)17(28)7-9-23(3,4)25(24,30)21(20)34-13(2)27/h8,10,15,18-21,30H,7,9,11H2,1-6H3/t15-,18+,19-,20+,21-,24-,25+/m0/s1
SMILES COC(=O)[C@@H]1c2ccoc2C[C@H]2[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]1(O)C(C)(C)CCC(=O)[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia crista Ref.
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