| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:09 UTC |
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| Update Date | 2025-03-25 01:01:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02247479 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H12O9 |
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| Molecular Mass | 348.0481 |
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| SMILES | O=C(CC(=O)c1c(O)cc(O)cc1O)C(=O)c1c(O)cc(O)cc1O |
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| InChI Key | WFEZNNBKHIXWIJ-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 benzenoidsacylphloroglucinols and derivativesalpha-diketonesaryl alkyl ketonesbenzoyl derivativesbutyrophenoneshydrocarbon derivativesorganic oxidesvinylogous acids |
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| Substituents | acylphloroglucinol derivativemonocyclic benzene moietyaryl alkyl ketonebenzenetriolbenzoyl1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalpha-diketonebutyrophenonephloroglucinol derivativearomatic homomonocyclic compoundvinylogous acidorganic oxidephenolhydrocarbon derivativebenzenoidalkyl-phenylketone |
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