input word = C00025367

Metabolite InformationStructural formula
Name Digittine
4beta-Hydroxy-13alpha-O-(2'-pyrrolylcarbonyl)lupanine
4beta-Hydroxycalpurnine
Formula C20H27N3O4
Mw 373.20015637
CAS RN 105798-93-4
C_ID C00025367 ,
InChIKey MDJQHHOIXSBKRX-XOCLQFQENA-N
InChICode InChI=1S/C20H27N3O4/c24-14-7-18-12-6-13(11-23(18)19(25)8-14)17-9-15(3-5-22(17)10-12)27-20(26)16-2-1-4-21-16/h1-2,4,12-15,17-18,21,24H,3,5-11H2/t12-,13-,14-,15-,17-,18+/m0/s1
SMILES C1(=O)C[C@H](C[C@H]2N1C[C@@H]1C[C@H]2CN2[C@H]1C[C@H](CC2)OC(=O)c1ccc[nH]1)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg L-Asp
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCalpurnia aurea subsp. aurea Ref.
zoom in



OrganismCalpurnia aurea subsp. aurea
ReferenceAsres,Planta Med.,52,(1986),302