| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:47 UTC |
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| Update Date | 2025-03-21 18:34:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099949 |
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| Frequency | 27.4 |
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| Structure | |
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| Chemical Formula | C7H10O4 |
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| Molecular Mass | 158.0579 |
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| SMILES | O=C1CC(O)CC(C(=O)O)C1 |
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| InChI Key | BWRTYEXRNVPSRF-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 | cyclic alcohols and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carboxylic acidscyclic ketoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidcyclic ketonecyclic alcoholcarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativessecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivative |
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