| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:59 UTC |
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| Update Date | 2025-03-21 18:28:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00071695 |
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| Frequency | 41.8 |
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| Structure | |
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| Chemical Formula | C10H10O7 |
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| Molecular Mass | 242.0427 |
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| SMILES | O=C(CC(O)C(=O)O)c1c(O)cc(O)cc1O |
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| InChI Key | PGBDHESXXLGHIU-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 benzenoidsacylphloroglucinols and derivativesalpha hydroxy acids and derivativesaryl alkyl ketonesbenzoyl derivativesbeta-hydroxy ketonesbutyrophenonescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmonocarboxylic 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 derivativephloroglucinol derivativeorganic oxideacylphloroglucinol derivativealcoholbenzenetriolhydroxy acid1-hydroxy-4-unsubstituted benzenoidgamma-keto acidbutyrophenonearomatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesketo acidsecondary alcoholphenolhydrocarbon derivativebenzenoidalkyl-phenylketone |
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