| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:31:40 UTC |
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| Update Date | 2025-03-21 20:58:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00418163 |
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| Frequency | 4.3 |
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| Structure | |
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| Chemical Formula | C6H6O4 |
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| Molecular Mass | 142.0266 |
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| SMILES | O=C1CCC(O)C(=O)C1=O |
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| InChI Key | NQTFYSBDWYEQBW-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 | cyclic ketoneshydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | ketonecarbonyl grouporganic oxidesecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativecyclic ketonecyclic alcohol |
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