| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:25 UTC |
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| Update Date | 2025-03-25 00:50:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181756 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13NO4 |
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| Molecular Mass | 247.0845 |
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| SMILES | O=C(O)C1CC=CN1C(=O)Cc1ccc(O)cc1 |
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| InChI Key | MBVRWIXUKOGKEK-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 | 1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylacetamidespyrrolinestertiary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidorganic oxidetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundphenylacetamideorganoheterocyclic compoundazacyclecarboxamide groupmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolinephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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