input word = C00017950

Metabolite InformationStructural formula
Name O-Demethylpaulomycin B
Formula C32H42N2O17S
Mw 758.22041866
CAS RN 113592-08-8
C_ID C00017950 ,
InChIKey VUSAGQZKPBHCGW-FRKPEAEDNA-N
InChICode InChI=1S/C32H42N2O17S/c1-7-16(34-11-52)30(43)51-24-18(10-46-15(6)35)49-27(31(44)9-17(36)22(33)21(26(31)39)28(40)41)23(38)25(24)50-20-8-19(37)32(45,13(4)47-20)14(5)48-29(42)12(2)3/h7,12-14,18-20,23-25,27,37-38,44-45H,8-10,33H2,1-6H3,(H,40,41)/b16-7+/t13-,14-,18-,19+,20+,23-,24-,25-,27+,31-,32-/m0/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)C)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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