| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:15 UTC |
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| Update Date | 2025-03-25 00:55:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213508 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12N2O3 |
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| Molecular Mass | 208.0848 |
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| SMILES | CNc1ccccc1C(=O)C(N)C(=O)O |
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| InChI Key | UPZPTRIDXZSDGN-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 compoundsalpha amino acidsamino acidsaryl alkyl ketonesbenzoyl derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylalkylaminesphenylpropanoic acidssecondary alkylarylaminesvinylogous amides |
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| Substituents | beta-hydroxy ketonemonocyclic benzene moietycarboxylic acidaryl alkyl ketone3-phenylpropanoic-acidamino acid or derivativesamino acidbenzoylalpha-amino acid or derivativescarboxylic acid derivativebeta-keto acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundvinylogous amidesecondary aminesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativesketo acidphenylalkylaminehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundaminealkyl-phenylketone |
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