| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:17 UTC |
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| Update Date | 2025-03-21 18:39:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125322 |
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| Frequency | 20.5 |
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| Structure | |
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| Chemical Formula | C10H10O5 |
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| Molecular Mass | 210.0528 |
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| SMILES | CC(C(=O)O)C(=O)c1ccc(O)cc1O |
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| InChI Key | FCKOTVHYTUFCDG-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 | 1,3-dicarbonyl compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaryl alkyl ketonesbenzoyl derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenylpropanesphenylpropanoic acidsresorcinolsvinylogous acids |
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| Substituents | beta-hydroxy ketonemonocyclic benzene moietycarboxylic acidaryl alkyl ketone3-phenylpropanoic-acidbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativebeta-keto acidresorcinolphenylpropaneorganic oxide1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesketo acidphenolhydrocarbon derivativebenzenoid1,3-dicarbonyl compoundalkyl-phenylketone |
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