| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:11 UTC |
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| Update Date | 2025-03-25 00:50:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181240 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13NO6 |
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| Molecular Mass | 279.0743 |
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| SMILES | O=C(O)CN=C(O)C=CCC(=O)c1ccc(O)cc1O |
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| InChI Key | WITQKDSGATUDDN-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha amino acidsaryl alkyl ketonesbenzoyl derivativescarboximidic acidscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsresorcinolsvinylogous acids |
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| Substituents | carboximidic acidmonocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativescarboxylic acid derivativeresorcinolpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic 1,3-dipolar compound1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketone |
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