| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:23 UTC |
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| Update Date | 2025-03-21 18:01:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00032272 |
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| Frequency | 113.2 |
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| Structure | |
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| Chemical Formula | C9H8O4 |
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| Molecular Mass | 180.0423 |
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| SMILES | O=C(O)C(O)C(=O)c1ccccc1 |
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| InChI Key | VRURKJLCRYVJSK-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 compoundsacyloinsalpha hydroxy acids and derivativesaryl alkyl ketonesbenzoyl derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesphenylpropanoic acidssecondary alcohols |
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| Substituents | beta-hydroxy ketonemonocyclic benzene moietycarboxylic acidaryl alkyl ketone3-phenylpropanoic-acidalpha-hydroxy acidbenzoylmonosaccharidecarboxylic acid derivativebeta-keto acidsaccharideorganic oxidealcoholhydroxy acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesketo acidacyloinsecondary alcoholhydrocarbon derivativebenzenoid1,3-dicarbonyl compoundalkyl-phenylketone |
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