input word = C00028708

Metabolite InformationStructural formula
Name N-Methylurabaine
Formula C37H34N2O4
Mw 570.25185759
CAS RN 108906-94-1
C_ID C00028708 ,
InChIKey OZRPTHFYXIEDGN-UHFFFAOYSA-N
InChICode InChI=1S/C37H34N2O4/c1-39-17-15-21-19-27(41-3)37(43-5)33-25-13-9-7-11-23(25)31(35(39)29(21)33)30-22-10-6-8-12-24(22)32-28-20(14-16-38-34(28)30)18-26(40-2)36(32)42-4/h6-13,18-19,38H,14-17H2,1-5H3
SMILES COc1cc2c3c(c(-c4c5c6c(cc(OC)c(OC)c6c6ccccc46)CCN5C)c4ccccc4c3c1OC)NCC2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeTrivalvaria macrophylla Ref.
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