| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:44 UTC |
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| Update Date | 2025-03-21 18:38:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119383 |
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| Frequency | 21.8 |
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| Structure | |
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| Chemical Formula | C12H13NO4 |
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| Molecular Mass | 235.0845 |
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| SMILES | CC(=O)NC(C(=O)O)C(=O)Cc1ccccc1 |
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| InChI Key | KMGSEFLCHVTZIB-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 | 1,3-dicarbonyl compoundsacetamidesalpha amino acidsbenzene and substituted derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | beta-hydroxy ketonemonocyclic benzene moietycarbonyl groupcarboxylic acidbeta-keto acidketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamiden-acyl-alpha-amino acidcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativebenzenoidorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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