| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:32 UTC |
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| Update Date | 2025-03-21 18:29:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00080324 |
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| Frequency | 36.2 |
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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 | CC1=C(C(=O)O)C(=O)CC1 |
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| InChI Key | QSHPVRQIQGCLLX-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 | cyclic ketones |
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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 | organic oxidemonocarboxylic acid or derivativescarboxylic acidaliphatic homomonocyclic compoundhydrocarbon derivativecyclic ketonecarboxylic acid derivative |
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