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 [C@]12(C(=CC3=C([C@@]1(C(=O)C[C@@](C2)(C)O)O[C@@H]1CC[C@H]([C@@H](O1)C)O)C(=O)c1c(C3=O)c(c(cc1)[C@H]1O[C@H]([C@H]([C@@H](C1)O[C@@H]1O[C@H]([C@@H](CC1)O[C@@H]1C[C@@H]([C@@H]([C@@H](O1)C)O)O)C)O)C)O)SC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces fradiae T-2717 Ref.
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