| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:07 UTC |
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| Update Date | 2025-03-25 00:48:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169564 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N2O4 |
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| Molecular Mass | 252.111 |
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| SMILES | CCOc1ccc(NC(=O)CNC(=O)CO)cc1 |
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| InChI Key | SPLUDDPCOFTUBU-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 polyolsalkyl aryl ethersalpha amino acid amidesalpha amino acidsanilidescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-arylamidesorganic oxidesorganopnictogen compoundsphenol ethersphenoxy compoundssecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethern-arylamidealkyl aryl etherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholalpha-amino acid amiden-acyl-alpha-amino acidcarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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