| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:24 UTC |
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| Update Date | 2025-03-21 18:00:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00029897 |
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| Frequency | 124.6 |
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| Structure | |
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| Chemical Formula | C10H8O5 |
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| Molecular Mass | 208.0372 |
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| SMILES | O=C(O)CC(=O)c1ccccc1C(=O)O |
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| InChI Key | UFTYDYPGWHGYKH-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-carboxy-2-haloaromatic compoundsaryl alkyl ketonesbenzoic acidsbenzoyl derivativesbeta-hydroxy ketonesbeta-keto acids and derivativesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesphenylpropanoic acids |
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| Substituents | beta-hydroxy ketonemonocyclic benzene moietycarboxylic acidaryl alkyl ketone3-phenylpropanoic-acidbenzoylcarboxylic acid derivativebeta-keto acidorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidbenzoic acid or derivativesaromatic homomonocyclic compoundketo aciddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidalkyl-phenylketone |
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