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 CCC(O)C[C@H]1CCC[C@@]2(CC3OC(=O)/C=C/[C@@](C)(O)[C@@H](O)[C@H](C)[C@@H](O)[C@H](O[C@H]4C[C@H](O)[C@H](N(C)C)C(C)O4)[C@@H](O)[C@@H](C)CCC/C=C/[C@H](C[C@H](C)CO)[C@@H](O)CC(O2)[C@@H]3C)O1
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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