| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:21 UTC |
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| Update Date | 2025-03-21 18:38:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118508 |
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| Frequency | 22.0 |
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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(C(=O)Cc2ccccc2)O1 |
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| InChI Key | NVGJTWBNGKQNQN-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 | alpha-acyloxy ketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativescarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | monocyclic benzene moietyalpha-acyloxy ketonearomatic heteromonocyclic compoundtetrahydrofurancarboxylic acid derivativegamma butyrolactoneketonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativescarboxylic acid esterhydrocarbon derivativebenzenoidorganoheterocyclic compound |
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