| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:48 UTC |
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| Update Date | 2025-03-21 18:01:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00035639 |
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| Frequency | 99.8 |
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| Structure | |
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| Chemical Formula | C10H14O3 |
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| Molecular Mass | 182.0943 |
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| SMILES | CC1=CC(=O)CC(C)(C)C1C(=O)O |
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| InChI Key | XVIVWEBLHSWKRQ-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 | cyclohexenones |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | cyclohexenonecarboxylic acidcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesaliphatic homomonocyclic compoundhydrocarbon derivative |
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