| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:10 UTC |
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| Update Date | 2025-03-25 00:48:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169661 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14O3 |
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| Molecular Mass | 218.0943 |
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| SMILES | CCc1ccc(C(=O)C2CCC(=O)O2)cc1 |
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| InChI Key | KHIFEAKDDQTZCY-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 | alpha-acyloxy ketonesaryl alkyl ketonesbenzoyl derivativescarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonealpha-acyloxy ketonearomatic heteromonocyclic compoundtetrahydrofuranbenzoylcarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativescarboxylic acid esterhydrocarbon derivativebenzenoidalkyl-phenylketoneorganoheterocyclic compound |
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