| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:20 UTC |
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| Update Date | 2025-03-21 18:39:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127855 |
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| Frequency | 20.0 |
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| Structure | |
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| Chemical Formula | C12H14O3 |
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| Molecular Mass | 206.0943 |
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| SMILES | CCCCOC(=O)C(=O)c1ccccc1 |
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| InChI Key | FGKXKAATQIZYLU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoyl derivatives |
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| Direct Parent | benzoyl derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha-keto acids and derivativesaryl ketonescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | carbonyl groupbenzoylcarboxylic acid derivativeketonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidcarboxylic acid esteralpha-keto acidhydrocarbon derivativeorganooxygen compoundaryl ketone |
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