input word = C00015970

Metabolite InformationStructural formula
Name Pluraflavin A
Formula C43H54N2O14
Mw 822.35750445
CAS RN 355840-22-1
C_ID C00015970 ,
InChIKey OHQJVUUBNSMDMH-DDXBNTPXNA-N
InChICode InChI=1S/C43H54N2O14/c1-17-35(48)27(47)14-30(55-17)58-39-18(2)54-28(12-25(39)45(7)8)22-9-10-23-33(37(22)50)38(51)34-24(36(23)49)11-21(16-53-31-15-42(5,44)41(52)19(3)56-31)32-26(46)13-29(57-40(32)34)43(6)20(4)59-43/h9-11,13,17-20,25,27-28,30-31,35,39,41,47-48,50,52H,12,14-16,44H2,1-8H3/t17-,18-,19+,20-,25-,27-,28-,30+,31+,35+,39+,41-,42-,43-/m0/s1
SMILES c1c(c(c2c(c1)C(=O)c1c(C2=O)c2c(c(c1)CO[C@H]1C[C@]([C@H]([C@H](O1)C)O)(C)N)c(=O)cc(o2)[C@]1(O[C@H]1C)C)O)[C@@H]1C[C@@H]([C@@H]([C@@H](O1)C)O[C@@H]1C[C@@H]([C@@H]([C@@H](O1)C)O)O)N(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
--Saccharothrix sp. DSM 12931 Ref.
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