| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:01 UTC |
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| Update Date | 2025-03-21 18:02:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00040957 |
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| Frequency | 89.7 |
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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 | O=C(NC(CO)C(=O)O)c1ccccn1 |
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| InChI Key | LOXGJRTTWHSAGC-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 heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridines2-heteroaryl carboxamidesalpha amino acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholspyridinecarboxylic acids and derivativessecondary carboxylic acid amidesserine and derivatives |
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| Substituents | pyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compound2-heteroaryl carboxamidebeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineprimary alcoholorganoheterocyclic compoundalcoholazacyclen-acyl-alpha-amino acidheteroaromatic compoundhydroxypyridinehydroxy acidcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundserine or derivativesorganooxygen compound |
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