input word = C00044677

Metabolite InformationStructural formula
Name Cyclotheonamide E5
Formula C41H62N10O10
Mw 854.46503827
CAS RN 406712-17-2
C_ID C00044677 ,
InChIKey GPMPQICWVQKULK-FYWRMAATNA-N
InChICode InChI=1S/C41H62N10O10/c1-6-22(3)18-33(55)46-24(5)36(57)49-28-21-45-32(54)15-13-26(19-25-12-14-30(52)31(53)20-25)47-38(59)34(23(4)7-2)50-39(60)35(56)27(10-8-16-44-41(42)43)48-37(58)29-11-9-17-51(29)40(28)61/h12-15,20,22-24,26-29,34,52-53H,6-11,16-19,21H2,1-5H3,(H,45,54)(H,46,55)(H,47,59)(H,48,58)(H,49,57)(H,50,60)(H4,42,43,44)/b15-13+/t22-,23-,24-,26-,27-,28+,29-,34-/m0/s1
SMILES CCC(C)CC(=O)NC(C)C(=O)NC1CNC(=O)/C=C/C(Cc2ccc(O)c(O)c2)NC(=O)C(C(C)CC)NC(=O)C(=O)C(CCCNC(=N)N)NC(=O)C2CCCN2C1=O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
AnimaliaIrciniidaeIrcinia sp. Ref.
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OrganismIrcinia sp.
ReferenceMurakami,J.Nat.Prod.,65,(2002),259