input word = C00018482

Metabolite InformationStructural formula
Name Saframycin R
Formula C31H34N4O10
Mw 622.22749334
CAS RN 106209-14-7
C_ID C00018482 ,
InChIKey GATZXGIUISULHU-MYQZPZNWNA-N
InChICode InChI=1S/C31H34N4O10/c1-12-25(39)15-8-18-24-23-16(26(40)13(2)29(44-6)30(23)45-21(38)11-36)7-17(34(24)4)19(9-32)35(18)20(10-33-31(42)14(3)37)22(15)27(41)28(12)43-5/h17-20,24,36,40H,7-8,10-11H2,1-6H3,(H,33,42)/t17-,18-,19-,20-,24-/m0/s1
SMILES COC1=C(C)C(=O)C2=C(C1=O)[C@H](CNC(=O)C(C)=O)N1[C@@H](C#N)[C@@H]3Cc4c(O)c(C)c(OC)c(OC(=O)CO)c4[C@H]([C@@H]1C2)N3C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Arg
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces lavendulae No. 314 Ref.
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