| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:47 UTC |
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| Update Date | 2025-03-25 00:58:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02232806 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O3 |
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| Molecular Mass | 220.1099 |
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| SMILES | CCC(=O)OCC(=O)CCc1ccccc1 |
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| InChI Key | XEWACXXXALEPSR-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 homomonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativescarboxylic acid estershydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | monocyclic benzene moietyalpha-acyloxy ketonecarboxylic acid derivativeketonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativescarboxylic acid esterhydrocarbon derivativebenzenoid |
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