input word = C00018723

Metabolite InformationStructural formula
Name Polyoxin A
Formula C23H32N6O14
Mw 616.19764978
CAS RN 19396-03-3
C_ID C00018723 ,
InChIKey PQAGMWMKVWTHJU-OKNOZOTPNA-N
InChICode InChI=1S/C23H32N6O14/c1-2-7-3-28(12(7)21(38)39)19(37)11(26-18(36)10(24)13(32)9(31)6-42-22(25)40)16-14(33)15(34)20(43-16)29-4-8(5-30)17(35)27-23(29)41/h2,4,9-16,20,30-34H,3,5-6,24H2,1H3,(H2,25,40)(H,26,36)(H,38,39)(H,27,35,41)/b7-2-/t9-,10-,11-,12-,13+,14-,15+,16-,20-/m0/s1
SMILES [nH]1c(=O)c(cn(c1=O)[C@@H]1[C@@H]([C@H](O)[C@H]([C@@H](C(=O)N2[C@@H](/C(=C\C)/C2)C(=O)O)NC(=O)[C@H]([C@@H]([C@H](COC(=O)N)O)O)N)O1)O)CO
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces cacaoi var. asoensis Ref.
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