input word = C00018311

Metabolite InformationStructural formula
Name 3-O-Acetyltylosin
Formula C48H79NO18
Mw 957.52971473
CAS RN 63409-10-9
C_ID C00018311 ,
InChIKey SXJMWODQOMKONK-DCHHJFKFNA-N
InChICode InChI=1S/C48H79NO18/c1-14-34-32(23-60-47-44(59-13)43(58-12)39(54)27(5)62-47)19-24(2)15-16-33(52)25(3)20-31(17-18-50)41(26(4)35(64-30(8)51)21-36(53)65-34)67-46-40(55)38(49(10)11)42(28(6)63-46)66-37-22-48(9,57)45(56)29(7)61-37/h15-16,18-19,25-29,31-32,34-35,37-47,54-57H,14,17,20-23H2,1-13H3/b16-15-,24-19+/t25-,26-,27-,28-,29+,31-,32+,34+,35+,37-,38-,39-,40-,41-,42-,43+,44-,45+,46-,47-,48-/m1/s1
SMILES [C@@H]1([C@@H](/C=C(/C=C\C(=O)[C@@H](C[C@H]([C@@H]([C@@H]([C@H](CC(=O)O1)OC(=O)C)C)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)N(C)C)O[C@@H]1C[C@@]([C@H]([C@@H](O1)C)O)(C)O)C)CC=O)C)\C)CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1OC)OC)O)C)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Arg
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces thermotolerans ATCC 11416 Ref.
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