| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:10 UTC |
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| Update Date | 2025-03-21 18:33:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096034 |
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| Frequency | 28.8 |
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| Structure | |
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| Chemical Formula | C12H12O3 |
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| Molecular Mass | 204.0786 |
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| SMILES | O=C1CCC(CC(=O)c2ccccc2)O1 |
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| InChI Key | TUXPDVJRABHZJX-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 heteromonocyclic compounds |
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| Alternative Parents | aryl alkyl ketonesbenzoyl derivativescarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonearomatic heteromonocyclic compoundtetrahydrofuranbenzoylcarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativescarboxylic acid esterhydrocarbon derivativebenzenoidalkyl-phenylketoneorganoheterocyclic compound |
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