input word = C00018256

Metabolite InformationStructural formula
Name Staphcoccomycin
Formula C39H65NO14
Mw 771.44050579
CAS RN 73047-31-1
C_ID C00018256 ,
InChIKey LKWYVXHWASIBBX-WYMLVPIENA-N
InChICode InChI=1S/C39H65NO14/c1-11-29-25(19-49-38-36(48-10)35(47-9)33(46)23(5)51-38)37-39(6,54-37)14-12-27(42)20(2)16-24(13-15-41)34(21(3)28(43)18-30(44)52-29)53-31-17-26(40(7)8)32(45)22(4)50-31/h12,14-15,20-26,28-29,31-38,43,45-46H,11,13,16-19H2,1-10H3/b14-12+/t20-,21+,22-,23+,24+,25-,26+,28-,29-,31-,32+,33+,34+,35-,36+,37+,38+,39-/m1/s1
SMILES O1[C@@]2(/C=C/C(=O)[C@@H](C[C@@H]([C@H]([C@H]([C@@H](CC(=O)O[C@@H]([C@H]([C@H]12)CO[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1OC)OC)O)C)CC)O)C)O[C@@H]1C[C@@H]([C@H]([C@H](O1)C)O)N(C)C)CC=O)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg Secologanin
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. AS-NG-16 Ref.
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OrganismStreptomyces sp. AS-NG-16
ReferenceShimi,J. Antibiotics,32,(1979),1248