| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:07 UTC |
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| Update Date | 2025-03-21 18:34:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00103270 |
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| Frequency | 26.3 |
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| Structure | |
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| Chemical Formula | C9H10N2O4 |
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| Molecular Mass | 210.0641 |
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| SMILES | CC(=O)Nc1cccn(CC(=O)O)c1=O |
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| InChI Key | HMUBWXLMTIMZDS-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 heteromonocyclic compounds |
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| Alternative Parents | acetamidesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmethylpyridinesmonocarboxylic acids and derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundspyridinonessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acidn-acetylarylaminearomatic heteromonocyclic compoundn-arylamidealpha-amino acid or derivativesorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundacetamideazacycleheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundpyridinoneorganooxygen compound |
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