| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:23 UTC |
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| Update Date | 2025-03-21 18:32:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00091712 |
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| Frequency | 30.6 |
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| Structure | |
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| Chemical Formula | C10H10O6 |
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| Molecular Mass | 226.0477 |
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| SMILES | O=C(CC(O)C(=O)O)c1cc(O)ccc1O |
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| InChI Key | LPHXJAWGJAVRIN-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 benzenoidsalpha hydroxy acids and derivativesaryl alkyl ketonesbenzoyl derivativesbeta-hydroxy ketonesbutyrophenonescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativeshydroquinonesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholsvinylogous acids |
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| Substituents | beta-hydroxy ketonemonocyclic benzene moietycarboxylic acidaryl alkyl ketonealpha-hydroxy acidbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxidealcoholhydroxy acidgamma-keto acidhydroquinonebutyrophenonearomatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesketo acidsecondary alcoholphenolhydrocarbon derivativebenzenoidalkyl-phenylketone |
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