| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:08 UTC |
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| Update Date | 2025-03-25 00:49:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171903 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15N3O3 |
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| Molecular Mass | 261.1113 |
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| SMILES | CC(=O)NC(Cc1cnc2ccc(C)cn12)C(=O)O |
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| InChI Key | KFRJHSSLXFXINU-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesacetamidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidazo[1,2-a]pyridinesimidazolesmethylpyridinesmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidpolyhalopyridineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundacetamideazolen-substituted imidazoleazacyclen-acyl-alpha-amino acidheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativespyridineorganic oxygen compoundimidazo[1,2-a]pyridinehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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