| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:50:54 UTC |
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| Update Date | 2025-03-21 20:05:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00321634 |
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| Frequency | 6.0 |
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| Structure | |
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| Chemical Formula | C7H8O3 |
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| Molecular Mass | 140.0473 |
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| SMILES | O=C(O)C1CC=CCC1=O |
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| InChI Key | KIEJFNHYWBDOBO-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 oxides |
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| Substituents | cyclohexenonecarboxylic acidcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesaliphatic homomonocyclic compoundhydrocarbon derivative1,3-dicarbonyl compound |
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