input word = C00027485

Metabolite InformationStructural formula
Name Tejedine
(-)-Tejedine
Formula C38H40N2O9
Mw 668.27338089
CAS RN 221001-23-6
C_ID C00027485 ,
InChIKey ZDYMPVYROQQXLO-DKKPLQGMNA-N
InChICode InChI=1S/C38H40N2O9/c1-39-15-14-24-19-33(45-4)35(46-5)36(49-32-21-27-23(18-31(32)44-3)13-16-40(2)37(27)42)34(24)28(39)17-22-7-10-26(11-8-22)48-30-20-25(38(43)47-6)9-12-29(30)41/h7-12,18-21,28,41H,13-17H2,1-6H3/t28-/m0/s1
SMILES c12c(cc(c(c1)OC)Oc1c(c(cc3c1[C@@H](N(CC3)C)Cc1ccc(cc1)Oc1c(ccc(c1)C(=O)OC)O)OC)OC)C(=O)N(CC2)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
PlantaeBerberidaceaeBerberis vulgaris Ref.
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