| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:39 UTC |
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| Update Date | 2025-03-25 00:46:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152647 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14N2O4 |
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| Molecular Mass | 250.0954 |
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| SMILES | NC(=NCC(=O)O)C(O)CC(=O)c1ccccc1 |
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| InChI Key | BGOAQUBXQZPPDQ-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 | alpha amino acidsamidinesaryl alkyl ketonesbenzoyl derivativesbeta-hydroxy ketonesbutyrophenonescarboximidamidescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | beta-hydroxy ketonemonocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoylalpha-amino acid or derivativesamidinecarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholorganic 1,3-dipolar compoundcarboximidamidebutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativessecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketone |
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