| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:34 UTC |
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| Update Date | 2025-03-21 18:40:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130818 |
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| Frequency | 19.4 |
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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(CNC(=O)c1ccc(O)cc1)C(=O)O |
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| InChI Key | GHNHIUTVQSENSP-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsbenzamidesbenzoyl derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidbenzoic acid or derivativescarboxamide groupbeta amino acid or derivativesbenzamidearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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