input word = C00015963

Metabolite InformationStructural formula
Name Yokonolide A
Formula C47H83NO14
Mw 885.58135637
CAS RN 363624-74-2
C_ID C00015963 ,
InChIKey FDTRCZDJIYMYRH-BPQWXGEUNA-N
InChICode InChI=1S/C47H83NO14/c1-10-33(50)22-34-17-14-19-47(61-34)25-38-29(4)37(62-47)23-35(51)32(21-27(2)26-49)16-13-11-12-15-28(3)42(54)44(60-40-24-36(52)41(48(8)9)31(6)58-40)43(55)30(5)45(56)46(7,57)20-18-39(53)59-38/h13,16,18,20,27-38,40-45,49-52,54-57H,10-12,14-15,17,19,21-26H2,1-9H3/b16-13+,20-18+/t27-,28-,29-,30+,31+,32+,33-,34+,35-,36-,37+,38+,40+,41-,42-,43+,44+,45-,46+,47+/m0/s1
SMILES [C@@]1([C@H]([C@@H]([C@H]([C@@H]([C@H]([C@H](CCC/C=C/[C@@H]([C@H](C[C@@H]2[C@@H]([C@H](OC(=O)/C=C/1)C[C@]1(O2)CCC[C@@H](O1)C[C@H](CC)O)C)O)C[C@@H](CO)C)C)O)O[C@H]1O[C@@H]([C@@H]([C@H](C1)O)N(C)C)C)O)C)O)(C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces diastatochromogenes B59 Ref.
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