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 CC(=O)OC1C2C(Cc3occc3C2(C)O)C2(C)C(=O)CCC(C)(C)C2(O)C1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia bonduc Ref.
PlantaeFabaceaeCaesalpinia crista Ref.
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