input word = C00025608

Metabolite InformationStructural formula
Name (-)-Epistephanine
Formula C37H38N2O6
Mw 606.27298696
CAS RN 40039-47-2
C_ID C00025608 ,
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-/m0/s1
SMILES COc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3cc(OC)c(OC)c(c31)Oc1cc3c(cc1OC)CCN(C)[C@H]3C2
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeMenispermaceaeAnisocycla grandidieri H.Bn. Ref.
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