input word = C00017949

Metabolite InformationStructural formula
Name O-Demethylpaulomycin A
Formula C33H44N2O17S
Mw 772.23606873
CAS RN 113603-74-0
C_ID C00017949 ,
InChIKey KDRLCZSKCPVIST-CAOOACKPNA-N
InChICode InChI=1S/C33H44N2O17S/c1-7-13(3)30(43)49-15(5)33(46)14(4)48-21(9-20(33)38)51-26-24(39)28(32(45)10-18(37)23(34)22(27(32)40)29(41)42)50-19(11-47-16(6)36)25(26)52-31(44)17(8-2)35-12-53/h8,13-15,19-21,24-26,28,38-39,45-46H,7,9-11,34H2,1-6H3,(H,41,42)/b17-8+/t13-,14+,15+,19-,20+,21-,24-,25-,26-,28-,32+,33+/m1/s1
SMILES C/C=C(/N=C=S)C(=O)OC1C(COC(C)=O)OC(C2(O)CC(=O)C(N)=C(C(=O)O)C2=O)C(O)C1OC1CC(O)C(O)(C(C)OC(=O)C(C)CC)C(C)O1
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces paulus strain No.273 Ref.
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