input word = C00029870

Metabolite InformationStructural formula
Name Caesalpinin C
Formula C24H32O6
Mw 416.21988875
CAS RN 817167-15-0
C_ID C00029870 ,
InChIKey MYVHVFGKOZGBLW-AKRUZJAPNA-N
InChICode InChI=1S/C24H32O6/c1-13-16-7-9-24(27)22(4,5)20(29-14(2)25)12-21(30-15(3)26)23(24,6)18(16)11-19-17(13)8-10-28-19/h8,10,16,18,20-21,27H,1,7,9,11-12H2,2-6H3/t16-,18-,20+,21-,23-,24+/m0/s1
SMILES c12c(C(=C)[C@H]3[C@H](C1)[C@@]1([C@@](CC3)(C([C@@H](C[C@@H]1OC(=O)C)OC(=O)C)(C)C)O)C)cco2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia bonduc Ref.
PlantaeFabaceaeCaesalpinia crista Ref.
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OrganismCaesalpinia crista
ReferenceAwale,Chem.Pharm.Bull.,54,(2006),213