| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:31 UTC |
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| Update Date | 2025-03-21 18:33:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096852 |
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| Frequency | 28.5 |
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| Structure | |
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| Chemical Formula | C12H13NO3 |
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| Molecular Mass | 219.0895 |
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| SMILES | O=C(O)C1CCN1C(=O)Cc1ccccc1 |
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| InChI Key | YVCNITMXYZFOID-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsazetidinecarboxylic acidsazetidinescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylacetamidestertiary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleazetidinecarboxylic acidcarboxamide groupazetidineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundphenylacetamideorganoheterocyclic compoundorganooxygen compound |
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