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 c12c([C@H]([C@@H]3[C@H](C1)[C@@]1([C@@]([C@H]([C@@H]3OC(=O)C)OC(=O)C)(C(CCC1=O)(C)C)O)C)C(=O)OC)cco2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia crista Ref.
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