| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:48 UTC |
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| Update Date | 2025-03-21 18:39:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126555 |
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| Frequency | 20.2 |
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| Structure | |
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| Chemical Formula | C12H13NO5 |
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| Molecular Mass | 251.0794 |
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| SMILES | O=C(O)CNC(=O)C(Cc1ccccc1)C(=O)O |
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| InChI Key | GNVSJRMFSPYUNX-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 homomonocyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsalpha amino acidsbenzene and substituted derivativescarboxylic acidsdicarboxylic acids and derivativesfatty amideshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidssecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidfatty amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundcarboxamide groupn-acylglycinearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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