| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 05:09:12 UTC |
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| Update Date | 2025-03-24 14:12:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00792548 |
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| Frequency | 1.9 |
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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=C1CC(O)C(=O)C=C1O |
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| InChI Key | MRBHQFFXSZPNML-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 | hydrocarbon derivativesorganic oxidessecondary alcoholsvinylogous acids |
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| Substituents | alcoholcyclohexenonevinylogous acidorganic oxidesecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivative |
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