| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:34 UTC |
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| Update Date | 2025-03-21 17:59:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00021054 |
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| Frequency | 203.6 |
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| Structure | |
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| Chemical Formula | C13H11NO3 |
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| Molecular Mass | 229.0739 |
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| SMILES | O=C(O)CNC(=O)c1ccc2ccccc2c1 |
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| InChI Key | XPQCDYYJHJOAIC-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 | acyl glycines |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesnaphthalenecarboxamidesnaphthalenecarboxylic acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaromatic homopolycyclic compoundcarboxamide groupn-acylglycine2-naphthalenecarboxamidesecondary carboxylic acid amidemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compound2-naphthalenecarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compound2-naphthalenecarboxylic acidorganooxygen compound |
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