| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:43 UTC |
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| Update Date | 2025-03-21 18:03:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047480 |
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| Frequency | 70.1 |
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| Structure | |
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| Chemical Formula | C7H8O4 |
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| Molecular Mass | 156.0423 |
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| SMILES | O=C(O)C1CC(O)C=CC1=O |
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| InChI Key | PHQNXCXZFAXMNF-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 | 1,3-dicarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholcyclohexenonecarboxylic acidcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativessecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivative1,3-dicarbonyl compound |
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