input word = C00015992

Metabolite InformationStructural formula
Name Polyketomycin
Formula C44H48O18
Mw 864.28406473
CAS RN 200625-47-4
C_ID C00015992 ,
InChIKey OWRCRVABZYJUES-GDTCDCGQNA-N
InChICode InChI=1S/C44H48O18/c1-16-9-10-17(2)33(47)28(16)41(53)62-39-21(6)59-27(15-42(39,7)54)60-24-11-12-26(58-20(24)5)61-40-36(50)30(19(4)45)37(51)44(56)38(52)31-22(14-43(40,44)55)18(3)29-32(35(31)49)23(46)13-25(57-8)34(29)48/h9-10,13,20-21,24,26-27,39-40,45,47,49,54-56H,11-12,14-15H2,1-8H3/b30-19+/t20-,21+,24+,26+,27+,39-,40-,42-,43-,44-/m1/s1
SMILES c12c(c(c3c(c1C)C[C@@]1([C@](C3=O)(C(=O)/C(=C(\C)/O)/C(=O)[C@H]1O[C@H]1CC[C@@H]([C@H](O1)C)O[C@@H]1O[C@H]([C@H]([C@](C1)(C)O)OC(=O)c1c(ccc(c1O)C)C)C)O)O)O)C(=O)C=C(C2=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. MK277-AF1 Ref.
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