input word = C00015719

Metabolite InformationStructural formula
Name Antibiotic KSM 2690B
KSM 2690B
Formula C36H51N3O9
Mw 669.36253025
CAS RN 328248-61-9
C_ID C00015719 ,
InChIKey CTNVFWQLXPTQNQ-WGRHPEBDNA-N
InChICode InChI=1S/C36H51N3O9/c1-23(16-12-9-10-13-17-27-21-37-22-47-27)30(41)34(5,6)32(43)38-19-15-11-14-18-28(40)24(2)20-29(46-8)36(45)25(3)31(42)39(7)35(36)26(4)48-33(35)44/h9-16,18,21-22,24-26,28-30,40-41,45H,17,19-20H2,1-8H3,(H,38,43)/b12-9-,13-10+,15-11+,18-14+,23-16-/t24-,25+,26-,28+,29+,30-,35-,36-/m1/s1
SMILES c1ncoc1C/C=C/C=C\C=C(\C)/[C@H](C(C)(C)C(=O)NC/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@]1([C@H](C(=O)N([C@]21[C@H](OC2=O)C)C)C)O)OC)C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Ala L-Asp L-Phe IPP L-His
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. KSM-2690 Ref.
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