| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:44 UTC |
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| Update Date | 2025-03-21 18:30:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00080803 |
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| Frequency | 35.9 |
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| Structure | |
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| Chemical Formula | C9H9NO4 |
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| Molecular Mass | 195.0532 |
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| SMILES | Nc1ccccc1C(=O)C(O)C(=O)O |
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| InChI Key | CNXHQBMTDWZFAZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsacyloinsalpha hydroxy acids and derivativesamino acidsaryl alkyl ketonesbenzoyl derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsphenylpropanoic acidsprimary aminessecondary alcoholsvinylogous amides |
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| Substituents | beta-hydroxy ketonemonocyclic benzene moietycarboxylic acidaryl alkyl ketone3-phenylpropanoic-acidamino acid or derivativesamino acidalpha-hydroxy acidbenzoylmonosaccharidecarboxylic acid derivativebeta-keto acidsaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholvinylogous amidehydroxy acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesketo acidacyloinsecondary alcoholhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compound1,3-dicarbonyl compoundaminealkyl-phenylketone |
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