input word = C00028882

Metabolite InformationStructural formula
Name Pseudotheonamide C
Formula C36H45N9O8
Mw 731.33910948
CAS RN 224577-35-9
C_ID C00028882 ,
InChIKey BJQBVGSNOQNIAB-KYQXWGOONA-N
InChICode InChI=1S/C36H45N9O8/c37-26(19-22-6-2-1-3-7-22)31(49)41-24(18-23-10-13-25(47)14-11-23)12-15-30(48)39-20-27(40-21-46)33(51)44-16-4-8-28(44)32(50)42-29-9-5-17-45-35(38)43-34(52)36(29,45)53/h1-3,6-7,10-15,21,24,26-29,47,53H,4-5,8-9,16-20,37H2,(H,39,48)(H,40,46)(H,41,49)(H,42,50)(H2,38,43,52)/b15-12+/t24-,26-,27+,28+,29+,36-/m1/s1
SMILES NC1=NC(=O)[C@]2(O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@H](CNC(=O)/C=C/[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](N)Cc3ccccc3)NC=O)CCCN12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Theonella swinhoei Ref.
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OrganismTheonella swinhoei
ReferenceNakao,J.Am.Chem.Soc.,121,(1999),2425