input word = C00029876

Metabolite InformationStructural formula
Name Caesalpinin L
Formula C24H34O7
Mw 434.23045344
CAS RN 886216-82-6
C_ID C00029876 ,
InChIKey ZUOSXOQNJTXIGG-ODVBQSKGNA-N
InChICode InChI=1S/C24H34O7/c1-13(25)30-18-12-24(28)21(3,4)9-7-19(31-14(2)26)22(24,5)16-11-17-15(8-10-29-17)23(6,27)20(16)18/h8,10,16,18-20,27-28H,7,9,11-12H2,1-6H3/t16-,18-,19-,20-,22-,23-,24+/m0/s1
SMILES c12c([C@@]([C@H]3[C@H](C1)[C@@]1([C@@](C[C@@H]3OC(=O)C)(C(CC[C@@H]1OC(=O)C)(C)C)O)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