input word = C00018410

Metabolite InformationStructural formula
Name Paulomycin B
Volonomycin B
Formula C33H44N2O17S
Mw 772.23606873
CAS RN 81988-76-3
C_ID C00018410 ,
InChIKey LTHZTSCPJPCHJG-IUXPMGMMNA-N
InChICode InChI=1S/C33H44N2O17S/c1-8-17(35-12-53)31(43)52-25-19(11-47-16(6)36)50-28(32(44)10-18(37)23(34)22(27(32)39)29(40)41)24(38)26(25)51-21-9-20(46-7)33(45,14(4)48-21)15(5)49-30(42)13(2)3/h8,13-15,19-21,24-26,28,38,44-45H,9-11,34H2,1-7H3,(H,40,41)/b17-8-/t14-,15+,19-,20-,21-,24-,25-,26+,28-,32-,33+/m1/s1
SMILES [C@H]1([C@H]([C@H]([C@H]([C@@H](O1)[C@]1(CC(=O)C(=C(C1=O)C(=O)O)N)O)O)O[C@@H]1C[C@H]([C@]([C@H](O1)C)([C@H](C)OC(=O)C(C)C)O)OC)OC(=O)/C(=C/C)/N=C=S)COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces paulus strain 273 (UC 5142) Ref.
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