input word = C00054932

Metabolite InformationStructural formula
Name Citrusin II
Formula C37H44N8O7
Mw 712.33329582
CAS RN 139626-29-2
C_ID C00054932
InChIKey QRRCCRJORDBZGC-NELKFLMZSA-N
InChICode InChI=1S/C37H44N8O7/c1-22-37(52)45-16-8-14-30(45)36(51)43-27(17-23-9-3-2-4-10-23)34(49)42-28(18-24-19-38-26-12-6-5-11-25(24)26)33(48)40-20-31(46)39-21-32(47)44-15-7-13-29(44)35(50)41-22/h2-6,9-12,19,22,27-30,38H,7-8,13-18,20-21H2,1H3,(H,39,46)(H,40,48)(H,41,50)(H,42,49)(H,43,51)/t22-,27-,28-,29-,30-/m0/s1
SMILES O=C([C@]([H])(CCC1)N1C([C@H](C)NC([C@@](CCC2)([H])N2C(CNC3=O)=O)=O)=O)N[C@@H](CC4=CC=CC=C4)C(N[C@@H](CC5=CNC6=C5C=CC=C6)C(NC3)=O)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus sinensis Ref.
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