input word = C00017180

Metabolite InformationStructural formula
Name Obelmycin F
Rhodomycin X
Formula C40H53NO15
Mw 787.34152003
CAS RN 107826-16-4
C_ID C00017180 ,
InChIKey HLNBIKIAALFYJX-UFNOYGJHNA-N
InChICode InChI=1S/C40H53NO15/c1-7-40(50)13-12-19-28(34(47)32-31(33(19)46)35(48)29-22(43)8-9-23(44)30(29)36(32)49)39(40)56-26-14-20(41(5)6)37(17(3)52-26)55-27-15-24(45)38(18(4)53-27)54-25-11-10-21(42)16(2)51-25/h8-9,16-18,20-21,24-27,37-39,42-47,50H,7,10-15H2,1-6H3/t16-,17+,18+,20-,21-,24+,25-,26-,27-,37-,38+,39+,40+/m0/s1
SMILES [C@@]1(CCc2c([C@H]1O[C@@H]1O[C@@H]([C@H](O[C@@H]3O[C@@H]([C@@H](O[C@@H]4O[C@H]([C@H](CC4)O)C)[C@@H](C3)O)C)[C@H](C1)N(C)C)C)c(c1c(c2O)C(=O)c2c(C1=O)c(ccc2O)O)O)(O)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg Secologanin
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces violaceus Ref.
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