input word = C00017168

Metabolite InformationStructural formula
Name Epelmycin B
Formula C42H51NO16
Mw 825.32078459
CAS RN 107807-24-9
C_ID C00017168 ,
InChIKey DKXGZTHFCJJLIP-XHUBFGOZNA-N
InChICode InChI=1S/C42H51NO16/c1-8-42(51)15-25(29-30(33(42)40(50)52-7)37(49)31-32(36(29)48)35(47)28-19(34(31)46)10-9-11-21(28)44)57-26-12-20(43(5)6)38(17(3)53-26)58-27-14-23-39(18(4)54-27)59-41-24(56-23)13-22(45)16(2)55-41/h9-11,16-18,20,23-27,33,38-39,41,44,48-49,51H,8,12-15H2,1-7H3/t16-,17-,18-,20+,23-,24-,25+,26-,27+,33-,38-,39+,41+,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]1C[C@H]3[C@@H]([C@@H](O1)C)O[C@@H]1[C@@H](O3)CC(=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) Secologanin
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces violaceus Ref.
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