input word = C00054944

Metabolite InformationStructural formula
Name Citrusin X
Formula C39H46N8O7
Mw 738.34894588
CAS RN 618432-64-7
C_ID C00054944
InChIKey POYYKUGPHZSHLA-XDIGFQIYSA-N
InChICode InChI=1S/C39H46N8O7/c48-33-22-42-35(50)28(19-24-9-2-1-3-10-24)43-36(51)30-13-6-17-46(30)38(53)29(20-25-21-40-27-12-5-4-11-26(25)27)44-37(52)31-14-7-18-47(31)39(54)32-15-8-16-45(32)34(49)23-41-33/h1-5,9-12,21,28-32,40H,6-8,13-20,22-23H2,(H,41,48)(H,42,50)(H,43,51)(H,44,52)/t28-,29-,30-,31-,32-/m0/s1
SMILES O=C(N1[C@](CCC1)([H])C(N[C@H](C(N2[C@]([H])(C(N[C@H](C(NC3)=O)CC4=CC=CC=C4)=O)CCC2)=O)CC5=CNC6=C5C=CC=C6)=O)[C@@](CCC7)([H])N7C(CNC3=O)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus sp. Ref.
zoom in