| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:03 UTC |
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| Update Date | 2025-03-25 00:46:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153619 |
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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 | COc1ccc(CNC(=O)CNC(=O)CO)cc1 |
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| InChI Key | RJOKHTROAIALTM-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 acidsanisolescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheralkyl aryl etherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholalpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupmethoxybenzenearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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