| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:44 UTC |
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| Update Date | 2025-03-25 00:59:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237238 |
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| Frequency | 0.5 |
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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(O)C(CO)C(=O)c1ccc(O)cc1O |
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| InChI Key | KFAYYMUODCILPX-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 acids and derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenylpropanoic acidsprimary alcoholsresorcinolsvinylogous acids |
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| Substituents | beta-hydroxy ketonemonocyclic benzene moietycarboxylic acidaryl alkyl ketone3-phenylpropanoic-acidbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativebeta-keto acidresorcinolbeta-hydroxy acidorganic oxideprimary alcoholalcoholhydroxy acid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesketo acidphenolhydrocarbon derivativebenzenoid1,3-dicarbonyl compoundalkyl-phenylketone |
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