input word = C00017948

Metabolite InformationStructural formula
Name Unphenelfamycin
Formula C43H65NO14
Mw 819.44050579
CAS RN 118498-90-1
C_ID C00017948 ,
InChIKey DJMVKODMYMBIGE-KTHYLWHINA-N
InChICode InChI=1S/C43H65NO14/c1-9-10-13-20-34-42(5,6)39(49)40(50)43(52,58-34)29(25-55-36-24-33(53-7)37(48)28(4)56-36)41(51)44-22-17-16-18-26(2)38(54-8)27(3)32-23-30(45)31(57-32)19-14-11-12-15-21-35(46)47/h9-21,27-34,36-40,45,48-50,52H,22-25H2,1-8H3,(H,44,51)(H,46,47)/b10-9+,12-11+,17-16+,19-14+,20-13+,21-15+,26-18+/t27-,28+,29+,30+,31-,32+,33+,34+,36+,37-,38-,39+,40-,43+/m1/s1
SMILES C(=O)(O)/C=C/C=C/C=C/[C@@H]1[C@H](C[C@H](O1)[C@H]([C@@H](/C(=C/C=C/CNC(=O)[C@@H]([C@@]1(O[C@H](C([C@H]([C@H]1O)O)(C)C)/C=C/C=C/C)O)CO[C@@H]1C[C@@H]([C@@H]([C@@H](O1)C)O)OC)/C)OC)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces violaceusniger AB 999F-80 Ref.
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