input word = C00018742

Metabolite InformationStructural formula
Name Leucomycin A4
Oxacyclohexadecane,Leukomycin A4
Formula C41H67NO15
Mw 813.45107048
CAS RN 18361-46-1
C_ID C00018742 ,
InChIKey XVTMRUKLMXPAKO-VOGBYTNFNA-N
InChICode InChI=1S/C41H67NO15/c1-11-15-31(46)55-39-26(5)52-33(22-41(39,7)49)56-36-25(4)53-40(35(48)34(36)42(8)9)57-37-28(18-19-43)20-23(2)29(45)17-14-12-13-16-24(3)51-32(47)21-30(38(37)50-10)54-27(6)44/h12-14,17,19,23-26,28-30,33-40,45,48-49H,11,15-16,18,20-22H2,1-10H3/b13-12+,17-14+/t23-,24-,25-,26+,28+,29+,30-,33+,34+,35+,36-,37+,38+,39+,40+,41-/m1/s1
SMILES [C@@H]1(C[C@H]([C@H](/C=C/C=C/C[C@H](OC(=O)C[C@H]([C@@H]([C@H]1O[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)C)O[C@@H]1O[C@H]([C@@H]([C@@](C1)(O)C)OC(=O)CCC)C)N(C)C)O)OC)OC(=O)C)C)O)C)CC=O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Secologanin
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces kitasatoensis Ref.
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OrganismStreptomyces kitasatoensis
ReferenceOmura,J. Antibiotics 21,(1968),272