input word = C00029666

Metabolite InformationStructural formula
Name alpha-Caesalpin
Formula C24H32O8
Mw 448.209718
CAS RN 7759-26-4
C_ID C00029666 ,
InChIKey MESLDFVKOWKXTR-UHFFFAOYNA-N
InChICode InChI=1S/C24H32O8/c1-12(25)31-19-18-15(11-16-14(8-10-30-16)23(18,6)28)22(5)17(27)7-9-21(3,4)24(22,29)20(19)32-13(2)26/h8,10,15,18-20,28-29H,7,9,11H2,1-6H3/t15-,18-,19+,20-,22+,23+,24-/m1/s1
SMILES c12c([C@]([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)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