input word = C00028806

Metabolite InformationStructural formula
Name Patagonine
Formula C37H40N2O6
Mw 608.28863702
CAS RN 84423-06-3
C_ID C00028806 ,
InChIKey KJCQZBUNNXWJCE-UHFFFAOYNA-N
InChICode InChI=1S/C37H40N2O6/c1-38-14-11-23-17-31(42-3)30(41)19-26(23)27(38)16-22-6-8-25(9-7-22)45-33-21-37(13-10-29(33)40)20-28-34-24(12-15-39(28)2)18-32(43-4)36(44-5)35(34)37/h6-10,13,17-19,21,27-28,41H,11-12,14-16,20H2,1-5H3/t27-,28+,37-/m1/s1
SMILES COc1cc2c(cc1O)C(Cc1ccc(OC3=CC4(C=CC3=O)CC3c5c(cc(OC)c(OC)c54)CCN3C)cc1)N(C)CC2
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
PlantaeBerberidaceaeBerberis empetrifolia Ref.
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