input word = C00025660

Metabolite InformationStructural formula
Name Epistephanine
(+)-Epistephanine
Formula C37H38N2O6
Mw 606.27298696
CAS RN 549-08-6
C_ID C00025660 ,
InChIKey ZKHQJCUUEXSGCM-KSTXGFNDNA-N
InChICode InChI=1S/C37H38N2O6/c1-39-15-13-24-19-31(41-3)33-21-27(24)29(39)17-23-8-11-30(40-2)32(18-23)44-26-9-6-22(7-10-26)16-28-35-25(12-14-38-28)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,29H,12-17H2,1-5H3/t29-/m1/s1
SMILES c12ccc(cc1)Oc1c(ccc(c1)C[C@@H]1c3cc(c(cc3CCN1C)OC)Oc1c3C(=NCCc3cc(c1OC)OC)C2)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeMenispermaceaeStephania hernandifolia (Willd.)Walp. Ref.
PlantaeMenispermaceaeStephania japonica Miers Ref.
zoom in