| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:17 UTC |
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| Update Date | 2025-03-25 00:51:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185987 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11NO7 |
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| Molecular Mass | 281.0536 |
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| SMILES | O=C(CO)Nc1ccc(O)c(C(=O)CC(=O)C(=O)O)c1 |
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| InChI Key | LJHSSHHGMDGPCW-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 benzenoidsalcohols and polyolsalpha-hydroxy ketonesalpha-keto acids and derivativesanilidesaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidesvinylogous acids |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidn-arylamidealpha-hydroxy ketonecarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundalcoholcarboxamide groupgamma-keto acidbutyrophenonearomatic homomonocyclic compoundanilidesecondary carboxylic acid amidevinylogous acidmonocarboxylic acid or derivativesketo acidphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketone |
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