input word = C00016291

Metabolite InformationStructural formula
Name Pelagiomicin B
Formula C20H21N3O5
Mw 383.1481208
CAS RN 173485-81-9
C_ID C00016291 ,
InChIKey PIEWZDRTLBDIHP-GGYSOQFKNA-N
InChICode InChI=1S/C20H21N3O5/c1-10(2)15(21)20(26)28-9-11-7-8-14(27-3)18-16(11)22-13-6-4-5-12(19(24)25)17(13)23-18/h4-8,10,15H,9,21H2,1-3H3,(H,24,25)/t15-/m0/s1
SMILES COc1ccc(COC(=O)[C@@H](N)C(C)C)c2nc3cccc(C(=O)O)c3nc12
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate
Organism
Kingdom Family Species Reference
--Pelagiobacter variabilis Ref.
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