| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:06 UTC |
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| Update Date | 2025-03-21 18:36:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112978 |
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| Frequency | 23.5 |
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| Structure | |
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| Chemical Formula | C8H6O4 |
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| Molecular Mass | 166.0266 |
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| SMILES | COC(=O)C1=CC(=O)C(=O)C=C1 |
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| InChI Key | QXPVPJZBCOUABK-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 | enoate estershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativeso-benzoquinonesorganic oxides |
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| Substituents | enoate estero-benzoquinonecarboxylic acid derivativealpha,beta-unsaturated carboxylic esterorganic oxidemonocarboxylic acid or derivativesmethyl estercarboxylic acid esteraliphatic homomonocyclic compoundhydrocarbon derivativequinone |
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