| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:14 UTC |
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| Update Date | 2025-03-25 00:45:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149305 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H8O4 |
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| Molecular Mass | 168.0423 |
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| SMILES | CC1=CC(=O)CC(=O)C1OC=O |
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| InChI Key | KTOJKENZHAAHQX-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 | quinones |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alpha-acyloxy ketonescarboxylic acid esterscyclohexenoneshydrocarbon derivativesm-benzoquinonesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | cyclohexenonealpha-acyloxy ketonecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativescarboxylic acid esteraliphatic homomonocyclic compoundhydrocarbon derivativem-benzoquinonequinone |
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