input word = C00025613

Metabolite InformationStructural formula
Name (-)-Krukovine
Formula C36H38N2O6
Mw 594.27298696
CAS RN 57377-42-1
C_ID C00025613 ,
InChIKey XGEAUXVPBXUBKN-LEFKRGDZNA-N
InChICode InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-30-17-22(7-10-29(30)39)16-28-34-24(12-14-38(28)2)19-33(42-4)35(40)36(34)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28-/m1/s1
SMILES c12ccc(c(c1)Oc1ccc(cc1)C[C@H]1N(CCc3c1cc(c(c3)OC)Oc1c3[C@@H](C2)N(CCc3cc(c1O)OC)C)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeMenispermaceaeCurarea candicans Barneby & Kurkoff Ref.
zoom in



OrganismCurarea candicans Barneby & Kurkoff
ReferenceLavault,J.Chem.Res.S, 8,(1985),248