| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:46 UTC |
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| Update Date | 2025-03-21 18:07:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00068786 |
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| Frequency | 44.0 |
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| Structure | |
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| Chemical Formula | C11H12N2O4 |
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| Molecular Mass | 236.0797 |
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| SMILES | O=C(O)C1CC(O)CN1C(=O)c1ccccn1 |
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| InChI Key | QHGBPCKDOOOXJJ-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 compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesn-acylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsproline and derivativespyridinecarboxylic acids and derivativespyrrolidine carboxylic acidssecondary alcoholstertiary carboxylic acid amides |
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| Substituents | pyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundn-acylpyrrolidine2-heteroaryl carboxamideorganic oxidepyrrolidine carboxylic acidtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridinepyrrolidineorganoheterocyclic compoundproline or derivativesalcoholazacyclen-acyl-alpha-amino acidheteroaromatic compoundhydroxypyridinecarboxamide groupmonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativespyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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