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/C=C/C=C/C1OC(O)(C(CO[C@@H]2C[C@@H](OC)[C@@H](O)C(C)O2)C(=O)NC/C=C/C=C(C)C(OC)C(C)C2CC(O)C(/C=C/C=C/C=C/C(=O)O)O2)C(O)C(O)C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces violaceusniger AB 999F-80 Ref.
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