| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:58:39 UTC |
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| Update Date | 2025-03-24 22:26:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01199357 |
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| Frequency | 1.1 |
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| Structure | |
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| Chemical Formula | C6H6O3 |
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| Molecular Mass | 126.0317 |
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| SMILES | O=CC1C(=O)C=CC1O |
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| InChI Key | AYXOYQXSMYFNCZ-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 | 1,3-dicarbonyl compounds |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | aldehydescyclic ketoneshydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholaldehydecyclic ketoneketoneorganic oxidesecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivative1,3-dicarbonyl compound |
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