input word = C00018828

Metabolite InformationStructural formula
Name Antibiotic YL 704W1
Antibiotic YL-704 W1
YL 704W1
Formula C43H69NO15
Mw 839.46672054
CAS RN 35867-31-3
C_ID C00018828 ,
InChIKey CZKKJMVWELOPLI-HCBPVJFVNA-N
InChICode InChI=1S/C43H69NO15/c1-12-32(47)56-31-22-34(49)53-26(5)16-14-13-15-17-30(46)25(4)21-29(18-19-45)39(40(31)52-11)59-42-37(50)36(44(9)10)38(27(6)55-42)58-35-23-43(8,51)41(28(7)54-35)57-33(48)20-24(2)3/h13-15,17,19,24-29,31,35-42,50-51H,12,16,18,20-23H2,1-11H3/b14-13+,17-15+/t25-,26-,27+,28+,29+,31-,35+,36-,37-,38-,39+,40+,41+,42+,43-/m1/s1
SMILES [C@@H]1(C[C@H](C(=O)/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)(C)O)OC(=O)CC(C)C)C)N(C)C)O)OC)OC(=O)CC)C)C)CC=O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Secologanin
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces platensis MCRL-0388 Ref.
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