| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:08 UTC |
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| Update Date | 2025-03-21 18:07:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00069664 |
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| Frequency | 43.3 |
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| Structure | |
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| Chemical Formula | C11H13NO4 |
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| Molecular Mass | 223.0845 |
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| SMILES | CC(O)C(NC(=O)c1ccccc1)C(=O)O |
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| InChI Key | IOQIWWTVXOPYQR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | hippuric acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidbenzoylalpha-amino acid or derivativescarboxylic acid derivativebeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesalcoholn-acyl-alpha-amino acidhippuric acid or derivativeshydroxy acidcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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