| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:43 UTC |
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| Update Date | 2025-03-25 00:57:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223839 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13NO6 |
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| Molecular Mass | 267.0743 |
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| SMILES | NC(CC(=O)c1ccc(C(O)C(=O)O)cc1)C(=O)O |
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| InChI Key | CDIFUIFFNWWVPM-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 acidsalpha hydroxy acids and derivativesaromatic alcoholsaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidsdicarboxylic acids and derivativesgamma-keto acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarboxylic acidaryl alkyl ketonealpha-hydroxy acidbenzoylalpha-amino acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholhydroxy acidgamma-keto acidbutyrophenonearomatic homomonocyclic compoundketo acidsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundalkyl-phenylketone |
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