| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:43:46 UTC |
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| Update Date | 2025-03-21 18:49:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00166413 |
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| Frequency | 14.2 |
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| Structure | |
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| Chemical Formula | C6H6O3 |
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| Molecular Mass | 126.0317 |
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| SMILES | O=C(O)C1CC=CC1=O |
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| InChI Key | PCUVUTMNSOSNKY-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 | 1,3-dicarbonyl compounds |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carboxylic acidscyclic ketoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | carboxylic acidcyclic ketonecarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativesaliphatic homomonocyclic compoundhydrocarbon derivative1,3-dicarbonyl compound |
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