input word = C00017749

Metabolite InformationStructural formula
Name Naphthoquinomycin B
Formula C40H47NO9S
Mw 717.29715284
CAS RN 101190-61-8
C_ID C00017749 ,
InChIKey POAHCCMNKFMDNG-HODGDDQQNA-N
InChICode InChI=1S/C40H47NO9S/c1-21-12-10-8-9-11-13-31(45)41-34-38(49)28-19-26(6)37(48)33(32(28)39(50)40(34)51-7)36(47)25(5)18-24(4)35(46)23(3)15-17-27(42)16-14-22(2)30(44)20-29(21)43/h8-15,17-19,21,23-24,27,29,35,42-43,46,48H,16,20H2,1-7H3,(H,41,45)/b9-8-,12-10+,13-11+,17-15+,22-14+,25-18-/t21-,23-,24+,27-,29+,35+/m1/s1
SMILES c12c3cc(c(c1C(=O)/C(=C\[C@@H]([C@H]([C@H](C)/C=C/[C@@H](C/C=C(\C)/C(=O)C[C@@H]([C@@H](/C=C/C=C\C=C/C(=O)NC(=C(C2=O)SC)C3=O)C)O)O)O)C)/C)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces No. S-1998 Ref.
zoom in