input word = C00030832

Metabolite InformationStructural formula
Name Norcaesalpinin E
(+)-Norcaesalpinin E
Formula C21H28O6
Mw 376.18858863
CAS RN 854038-96-3
C_ID C00030832 ,
InChIKey IBALQPBIWZLHPR-BKYMUGBKNA-N
InChICode InChI=1S/C21H28O6/c1-11(22)27-16-5-7-19(2,3)21(25)10-14(23)17-13(20(16,21)4)9-15-12(18(17)24)6-8-26-15/h6,8,13-14,16-17,23,25H,5,7,9-10H2,1-4H3/t13-,14-,16-,17-,20-,21+/m0/s1
SMILES c12c(C(=O)[C@H]3[C@H](C1)[C@@]1([C@@](C[C@@H]3O)(C(CC[C@@H]1OC(=O)C)(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