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 [C@@H]1([C@@H](C(=O)N2[C@H](C1)[C@@H]1C[C@H](C2)[C@H]2N(C1)CC[C@@H](C2)OC(=O)c1ccc[nH]1)O)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