input word = C00041445

Metabolite InformationStructural formula
Name Citrusin III
Formula C36H53N7O9
Mw 727.39047634
CAS RN 139626-30-5
C_ID C00041445 ,
InChIKey JXSBDUVWEXYABO-YTWBAKJDNA-N
InChICode InChI=1S/C36H53N7O9/c1-20(2)15-24-32(48)41-26(16-21(3)4)35(51)42-13-5-7-28(42)34(50)40-25(17-22-9-11-23(45)12-10-22)31(47)37-18-30(46)38-27(19-44)36(52)43-14-6-8-29(43)33(49)39-24/h9-12,20-21,24-29,44-45H,5-8,13-19H2,1-4H3,(H,37,47)(H,38,46)(H,39,49)(H,40,50)(H,41,48)/t24-,25-,26-,27-,28-,29-/m0/s1
SMILES C1(=O)[C@H]2N(C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H]3N(C(=O)[C@@H](NC(=O)[C@@H](N1)CC(C)C)CC(C)C)CCC3)Cc1ccc(cc1)O)CO)CCC2
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus sinensis Ref.
PlantaeRutaceaeCitrus sudachi Ref.
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