input word = C00029419

Metabolite InformationStructural formula
Name 1-Deacetoxy-1-oxocaesalmin C
Formula C24H30O7
Mw 430.19915331
CAS RN 29934-92-7
C_ID C00029419 ,
InChIKey ZZMDEZKJZXKYRT-MZLAHGQANA-N
InChICode InChI=1S/C24H30O7/c1-12-15-8-10-29-17(15)11-16-19(12)20(30-13(2)25)21(31-14(3)26)24(28)22(4,5)9-7-18(27)23(16,24)6/h8,10,16,19-21,28H,1,7,9,11H2,2-6H3/t16-,19-,20+,21-,23-,24+/m0/s1
SMILES c12c(C(=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)cco2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia crista Ref.
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OrganismCaesalpinia crista
ReferenceAwale,Chem.Pharm.Bull.,54,(2006),213