| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:44 UTC |
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| Update Date | 2025-03-25 00:51:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187045 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10N4O2 |
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| Molecular Mass | 206.0804 |
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| SMILES | CC(C(=O)O)n1cccc2nc(N)nc1-2 |
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| InChI Key | IHOWTEZODJQEFH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidazolesimidazopyridinesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspolyhalopyridinesprimary amines |
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| Substituents | carbonyl groupcarboxylic acidamino acidpolyhalopyridinealpha-amino acid or derivativesimidazopyridineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compound2-halopyridineorganoheterocyclic compoundazoleazacycleheteroaromatic compoundhydroxypyridinemethylpyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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