input word = C00017167

Metabolite InformationStructural formula
Name Epelmycin A
Formula C42H53NO15
Mw 811.34152003
CAS RN 107807-25-0
C_ID C00017167 ,
InChIKey GSCMQULDSZTLKO-UHFFFAOYNA-N
InChICode InChI=1S/C42H53NO15/c1-8-42(51)17-26(31-32(35(42)41(50)52-7)39(49)33-34(38(31)48)37(47)30-21(36(33)46)10-9-11-24(30)45)57-29-16-22(43(5)6)40(20(4)55-29)58-28-15-13-25(19(3)54-28)56-27-14-12-23(44)18(2)53-27/h9-11,18-20,22,25-29,35,40,45,48-49,51H,8,12-17H2,1-7H3/t18-,19-,20-,22+,25-,26-,27-,28-,29+,35+,40+,42+/m0/s1
SMILES C1[C@]([C@H](c2c([C@H]1O[C@@H]1C[C@H]([C@@H]([C@@H](O1)C)O[C@H]1CC[C@@H]([C@@H](O1)C)O[C@H]1CCC(=O)[C@@H](O1)C)N(C)C)c(c1c(c2O)C(=O)c2c(C1=O)c(ccc2)O)O)C(=O)OC)(O)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Secologanin
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces violaceus Ref.
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