input word = C00041208

Metabolite InformationStructural formula
Name (+)-Thaligrisine
Thaligrisine
Formula C37H42N2O6
Mw 610.30428709
CAS RN 93780-78-0
C_ID C00041208 ,
InChIKey ZKGBUDJODLZAHS-XLXAPLRVNA-N
InChICode InChI=1S/C37H42N2O6/c1-38-14-12-25-19-35(43-4)32(40)21-28(25)30(38)16-23-6-9-27(10-7-23)45-37-18-24(8-11-34(37)42-3)17-31-29-22-33(41)36(44-5)20-26(29)13-15-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3/t30-,31+/m0/s1
SMILES c1cc(c(cc1C[C@H]1N(CCc2c1cc(c(c2)OC)O)C)Oc1ccc(cc1)C[C@@H]1N(CCc2c1cc(c(c2)OC)O)C)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeXylopia columbiana Ref.
PlantaeBerberidaceaeBerberis vulgaris ssp.australis Ref.
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OrganismBerberis vulgaris ssp.australis
ReferenceSuau,Phytochem.,49,(1998),2545