| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:24 UTC |
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| Update Date | 2025-03-25 01:01:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250315 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O7 |
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| Molecular Mass | 268.0583 |
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| SMILES | O=C(O)Cc1c(O)cccc1C(=O)CC(O)C(=O)O |
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| InChI Key | FGSCEWVCLNDXGI-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 benzenoids2(hydroxyphenyl)acetic acidsalpha hydroxy acids and derivativesaryl alkyl ketonesbenzoyl derivativesbeta-hydroxy ketonesbutyrophenonescarboxylic acidsdicarboxylic acids and derivativesgamma-keto acids and derivativeshydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | beta-hydroxy ketonemonocyclic benzene moietycarboxylic acidaryl alkyl ketonealpha-hydroxy acidbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxide2(hydroxyphenyl)acetic acidalcoholhydroxy acid1-hydroxy-4-unsubstituted benzenoidgamma-keto acidbutyrophenonearomatic homomonocyclic compoundketo acidsecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidalkyl-phenylketone |
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