input word = C00029150

Metabolite InformationStructural formula
Name Tscheschamine
Formula C29H36N4O5
Mw 520.26857029
CAS RN 120186-26-7
C_ID C00029150 ,
InChIKey KBOOVCBYCPJVOF-WYMLVPIENA-N
InChICode InChI=1S/C29H36N4O5/c1-4-18(2)25(30)29(36)33-15-13-24-26(33)28(35)32-22(16-19-8-6-5-7-9-19)27(34)31-14-12-20-17-21(38-24)10-11-23(20)37-3/h5-12,14,17-18,22,24-26H,4,13,15-16,30H2,1-3H3,(H,31,34)(H,32,35)/b14-12+/t18-,22-,24+,25-,26-/m0/s1
SMILES [C@H]1(NC(=O)[C@@H]2[C@H](Oc3cc(/C=C\NC1=O)c(cc3)OC)CCN2C(=O)[C@@H](N)[C@H](CC)C)Cc1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeZizyphus sativa Ref.
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