input word = C00017829

Metabolite InformationStructural formula
Name Urdamycin E
Formula C44H58O17S
Mw 890.33947116
CAS RN 104542-47-4
C_ID C00017829 ,
InChIKey WDNBUGBJVRAIKE-UHFFFAOYNA-N
InChICode InChI=1S/C44H58O17S/c1-18-25(45)9-11-33(56-18)61-44-30(47)16-42(5,53)17-43(44,54)31(62-6)13-24-36(44)41(52)23-8-7-22(39(50)35(23)40(24)51)28-15-29(38(49)21(4)55-28)60-32-12-10-27(19(2)57-32)59-34-14-26(46)37(48)20(3)58-34/h7-8,13,18-21,25-29,32-34,37-38,45-46,48-50,53-54H,9-12,14-17H2,1-6H3/t18-,19-,20-,21-,25+,26-,27+,28-,29+,32-,33+,34+,37+,38+,42+,43-,44+/m0/s1
SMILES CSC1=CC2=C(C(=O)c3ccc(C4CC(O[C@H]5CCC(O[C@@H]6CC(O)C(O)C(C)O6)C(C)O5)C(O)C(C)O4)c(O)c3C2=O)C2(O[C@@H]3CCC(O)C(C)O3)C(=O)CC(C)(O)CC12O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces fradiae T-2717 Ref.
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