| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:02 UTC |
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| Update Date | 2025-03-21 18:28:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00074244 |
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| Frequency | 40.0 |
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| Structure | |
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| Chemical Formula | C9H7NO4 |
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| Molecular Mass | 193.0375 |
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| SMILES | Nc1ccccc1C(=O)C(=O)C(=O)O |
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| InChI Key | PSNHQNZJLYLVDI-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 | phenylpyruvic acid derivatives |
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| Direct Parent | phenylpyruvic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha-diketonesalpha-hydroxy ketonesalpha-keto acids and derivativesamino acidsaryl ketonesbenzoyl derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylpropanoic acidsprimary aminesvinylogous amides |
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| Substituents | beta-hydroxy ketonecarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acid or derivativesamino acidbenzoylalpha-hydroxy ketonecarboxylic acid derivativebeta-keto acidketoneorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundvinylogous amidephenylpyruvatealpha-diketonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compoundaryl ketone |
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