input word = C00007721

Metabolite InformationStructural formula
Name Calpaurine
Formula C20H27N3O5
Mw 389.19507099
CAS RN
C_ID C00007721 ,
InChIKey JCBFTVVDJBFDDD-JIZQWMLPNA-N
InChICode InChI=1S/C20H27N3O5/c24-17-8-16-11-6-12(10-23(16)19(26)18(17)25)15-7-13(3-5-22(15)9-11)28-20(27)14-2-1-4-21-14/h1-2,4,11-13,15-18,21,24-25H,3,5-10H2/t11-,12-,13+,15+,16-,17-,18+/m1/s1
SMILES O=C(O[C@H]1CCN2CC3C[C@@H](CN4C(=O)[C@@H](O)[C@H](O)C[C@H]34)[C@@H]2C1)c1ccc[nH]1
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg L-Asp
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCalpurnia aurea subsp. aurea Ref.
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