| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:51 UTC |
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| Update Date | 2025-03-21 18:01:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00033391 |
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| Frequency | 108.7 |
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| Structure | |
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| Chemical Formula | C9H10O5 |
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| Molecular Mass | 198.0528 |
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| SMILES | CC(O)C(=O)c1c(O)cc(O)cc1O |
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| InChI Key | GEFJJJRFQFVTKG-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 benzenoidsacyloinsacylphloroglucinols and derivativesaryl alkyl ketonesbenzoyl derivativeshydrocarbon derivativesorganic oxidesphenylpropanessecondary alcoholsvinylogous acids |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidphenylpropanephloroglucinol derivativeorganic oxideacylphloroglucinol derivativealcoholbenzenetriol1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundvinylogous acidacyloinsecondary alcoholphenolhydrocarbon derivativebenzenoidalkyl-phenylketone |
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