input word = C00017827

Metabolite InformationStructural formula
Name Urdamycin C
Formula C51H60O19
Mw 976.37287974
CAS RN 104443-43-8
C_ID C00017827 ,
InChIKey CTCZFABGJCXFCL-DFLQSGTKNA-N
InChICode InChI=1S/C51H60O19/c1-21-30(53)10-12-37(64-21)70-51-35(55)19-49(5,61)20-50(51,62)15-14-27-42(51)47-40-29(39(48(60)69-47)25-6-8-26(52)9-7-25)16-28(46(59)41(40)45(27)58)33-18-34(44(57)24(4)63-33)68-36-13-11-32(22(2)65-36)67-38-17-31(54)43(56)23(3)66-38/h6-9,14-16,21-24,30-34,36-38,43-44,52-54,56-58,61-62H,10-13,17-20H2,1-5H3/t21-,22-,23+,24+,30-,31+,32-,33+,34-,36-,37-,38-,43+,44+,49-,50-,51-/m0/s1
SMILES [C@@]12(C=Cc3c([C@]1(C(=O)C[C@](C2)(C)O)O[C@H]1CC[C@@H]([C@@H](O1)C)O)c1c2c(c3O)C(=O)C(=Cc2c(c(=O)o1)c1ccc(cc1)O)[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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces fradiae T-2717 Ref.
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