| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:57 UTC |
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| Update Date | 2025-03-21 18:30:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00083654 |
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| Frequency | 34.4 |
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| Structure | |
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| Chemical Formula | C12H13NO4 |
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| Molecular Mass | 235.0845 |
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| SMILES | CC(=O)NC(Cc1ccccc1)C(=O)C(=O)O |
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| InChI Key | BHDXVMBBKZQYLA-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 | phenethylamines |
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| Direct Parent | amphetamines and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesalpha-hydroxy ketonesalpha-keto acids and derivativesbenzene and substituted derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidcarboxamide groupalpha-hydroxy ketonecarboxylic acid derivativeketonearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidorganonitrogen compoundalpha-keto acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundacetamideorganooxygen compoundamphetamine or derivatives |
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