| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:13 UTC |
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| Update Date | 2025-03-21 18:40:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129956 |
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| Frequency | 19.5 |
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| Structure | |
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| Chemical Formula | C7H12O7 |
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| Molecular Mass | 208.0583 |
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| SMILES | O=C(O)C1(O)CC(O)C(O)C(OO)C1 |
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| InChI Key | DWPBWVXTSQVGHA-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 | alcohols and polyols |
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| Direct Parent | quinic acids and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alkyl hydroperoxidesalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclohexanolshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesperoxolstertiary alcohols |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidcyclohexanolhydroperoxidehydroxy acidcarboxylic acid derivativeperoxoltertiary alcoholorganic oxidemonocarboxylic acid or derivativesalkyl hydroperoxidesecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativequinic acid |
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