| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:01 UTC |
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| Update Date | 2025-03-25 00:51:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189961 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14O3 |
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| Molecular Mass | 194.0943 |
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| SMILES | C=CC1C=C(C(=O)O)C(=O)CC1(C)C |
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| InChI Key | PKILQYMIHJQCDS-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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