| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:17 UTC |
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| Update Date | 2025-03-21 18:06:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00065196 |
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| Frequency | 47.0 |
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| Structure | |
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| Chemical Formula | C10H10O3 |
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| Molecular Mass | 178.063 |
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| SMILES | CCC(=O)c1ccc(C(=O)O)cc1 |
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| InChI Key | MQZBJHMHKZVYHB-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 derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsphenylpropanes |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoylbenzoic acid or derivativescarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativeshydrocarbon derivativebenzenoidbenzoic acidalkyl-phenylketone |
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