| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:46 UTC |
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| Update Date | 2025-03-25 00:59:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237317 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11NO6 |
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| Molecular Mass | 265.0586 |
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| SMILES | O=C(Cc1ccccc1)NC(C(=O)O)C(=O)C(=O)O |
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| InChI Key | JTKZPYHDZSXGEI-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 compoundsalpha amino acidsalpha-hydroxy ketonesalpha-keto acids and derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylacetamidessecondary carboxylic acid amides |
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| Substituents | beta-hydroxy ketonemonocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy ketonebeta-keto acidketoneorganic oxideorganonitrogen compoundalpha-keto acidalpha-amino acidorganopnictogen compoundphenylacetamiden-acyl-alpha-amino acidcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundketo aciddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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