| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:41 UTC |
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| Update Date | 2025-03-25 00:48:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168567 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O4 |
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| Molecular Mass | 222.0892 |
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| SMILES | CC(C)(O)CC(=O)c1cccc(C(=O)O)c1 |
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| InChI Key | PVIDHFPUWHLTCO-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 | aryl alkyl ketonesbenzoic acidsbenzoyl derivativesbeta-hydroxy ketonesbutyrophenonescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidestertiary alcohols |
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| Substituents | alcoholbeta-hydroxy ketonemonocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoylbenzoic acid or derivativescarboxylic acid derivativebutyrophenonearomatic homomonocyclic compoundtertiary alcoholorganic oxidemonocarboxylic acid or derivativeshydrocarbon derivativebenzenoidbenzoic acidalkyl-phenylketone |
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