| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:53 UTC |
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| Update Date | 2025-03-21 18:05:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00057153 |
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| Frequency | 55.6 |
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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 | CC(=O)c1ccc(O)c(O)c1O |
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| InChI Key | XIROXSOOOAZHLL-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 | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids5-unsubstituted pyrrogallolsacetophenonesaryl alkyl ketonesbenzoyl derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsvinylogous acids |
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| Substituents | monocyclic benzene moietypyrogallol derivativearyl alkyl ketonebenzenetriolbenzoyl1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundvinylogous acidorganic oxide5-unsubstituted pyrrogallolacetophenonephenolhydrocarbon derivativebenzenoidalkyl-phenylketone |
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