input word = C00028193

Metabolite InformationStructural formula
Name Dihydrocyclotheonamide A
Formula C36H47N9O8
Mw 733.35475954
CAS RN 170168-58-8
C_ID C00028193 ,
InChIKey UBDVHSRQXRQYDR-FIDKWZEHNA-N
InChICode InChI=1S/C36H47N9O8/c37-36(38)39-16-4-8-26-31(49)34(52)44-27(19-22-6-2-1-3-7-22)32(50)42-24(18-23-10-13-25(47)14-11-23)12-15-30(48)40-20-28(41-21-46)35(53)45-17-5-9-29(45)33(51)43-26/h1-3,6-7,10-15,21,24,26-29,31,47,49H,4-5,8-9,16-20H2,(H,40,48)(H,41,46)(H,42,50)(H,43,51)(H,44,52)(H4,37,38,39)/b15-12+/t24-,26+,27-,28+,29+,31-/m1/s1
SMILES N1[C@@H](C(=O)N[C@H](/C=C/C(=O)NC[C@@H](C(=O)N2[C@H](C(=O)N[C@H]([C@H](C1=O)O)CCCNC(=N)N)CCC2)NC=O)Cc1ccc(cc1)O)Cc1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Lys
Organism
Kingdom Family Species Reference
--Theonella swinhoei Ref.
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OrganismTheonella swinhoei
ReferenceNakao,J.Am.Chem.Soc.,121,(1999),2425