input word = C00018007

Metabolite InformationStructural formula
Name Desalicetin 2'-(4-aminosalicylate)
Formula C24H37N3O9S
Mw 543.22505053
CAS RN 55051-88-2
C_ID C00018007 ,
InChIKey PMNDUKRGXDVYTL-UHFFFAOYNA-N
InChICode InChI=1S/C24H37N3O9S/c1-12(34-3)17(26-22(32)15-5-4-8-27(15)2)21-19(30)18(29)20(31)24(36-21)37-10-9-35-23(33)14-7-6-13(25)11-16(14)28/h6-7,11-12,15,17-21,24,28-31H,4-5,8-10,25H2,1-3H3,(H,26,32)/t12-,15-,17-,18+,19-,20+,21+,24-/m1/s1
SMILES COC(C)C(NC(=O)C1CCCN1C)C1OC(SCCOC(=O)c2ccc(N)cc2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces caelestis UC-2011 Ref.
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