input word = C00055524

Metabolite InformationStructural formula
Name Cyclosquamosin I
Formula C36H54N8O11
Mw 774.39120463
CAS RN 1004749-74-9
C_ID C00055524
InChIKey JZSNVDKVHCTOES-SDVPWVDNSA-N
InChICode InChI=1S/C36H54N8O11/c1-17(2)14-24-31(50)37-16-27(48)38-19(4)36(55)44-13-7-8-26(44)33(52)39-18(3)30(49)42-29(21(6)46)35(54)43-28(20(5)45)34(53)41-25(32(51)40-24)15-22-9-11-23(47)12-10-22/h9-12,17-21,24-26,28-29,45-47H,7-8,13-16H2,1-6H3,(H,37,50)(H,38,48)(H,39,52)(H,40,51)(H,41,53)(H,42,49)(H,43,54)/t18-,19-,20+,21+,24-,25-,26-,28-,29-/m0/s1
SMILES O=C(NCC(N[C@@H](C)C1=O)=O)[C@H](CC(C)C)NC([C@H](CC2=CC=C(O)C=C2)NC([C@@]([C@H](O)C)([H])NC([C@@]([C@@H](C)O)([H])NC([C@H](C)NC([C@@]3([H])N1CCC3)=O)=O)=O)=O)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona squamosa Ref.
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