Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-20 23:50:01 UTC |
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Update Date | 2025-03-21 18:02:32 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00038604 |
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Frequency | 90.6 |
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Structure | |
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Chemical Formula | C12H15NO4 |
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Molecular Mass | 237.1001 |
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SMILES | O=C(Cc1ccccc1)NC(CCO)C(=O)O |
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InChI Key | NXRMEQQSABBWDL-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 homomonocyclic compounds |
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Alternative Parents | alcohols and polyolsalpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylacetamidessecondary carboxylic acid amides |
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Substituents | alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidn-acyl-alpha-amino acidcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundphenylacetamideorganooxygen compound |
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