input word = C00016093

Metabolite InformationStructural formula
Name Naphthomycin J
Formula C44H52N2O12S
Mw 832.32409587
CAS RN 214482-56-1
C_ID C00016093 ,
InChIKey VEDOKYSBCNXSGP-WXFSDWDVNA-N
InChICode InChI=1S/C44H52N2O12S/c1-22-12-10-8-9-11-13-34(51)46-37-41(55)30-19-27(6)40(54)36(35(30)42(56)43(37)59-21-31(44(57)58)45-28(7)47)39(53)26(5)18-25(4)38(52)24(3)15-17-29(48)16-14-23(2)33(50)20-32(22)49/h8-15,17-19,22,24-25,29,31-32,38,48-49,52,54H,16,20-21H2,1-7H3,(H,45,47)(H,46,51)(H,57,58)/b9-8-,12-10+,13-11+,17-15+,23-14+,26-18-/t22-,24-,25-,29-,31-,32-,38-/m0/s1
SMILES C\1=C(\C)/C(=O)C[C@@H]([C@H](/C=C/C=C\C=C\C(=O)NC2=C(C(=O)c3c(C2=O)cc(C)c(c3C(=O)/C(=C\[C@@H]([C@H]([C@H](/C=C/[C@H](C1)O)C)O)C)/C)O)SC[C@@H](C(=O)O)NC(=O)C)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. E/784 Ref.
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