| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:22 UTC |
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| Update Date | 2025-03-25 00:51:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188466 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16O6 |
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| Molecular Mass | 280.0947 |
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| SMILES | CC(Cc1ccc(C(=O)C(O)CC(=O)O)cc1)C(=O)O |
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| InChI Key | QNYZBVJMTUFIDD-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 | acyloinsaryl alkyl ketonesbenzoyl derivativesbeta hydroxy acids and derivativesbutyrophenonescarboxylic acidsdicarboxylic acids and derivativesgamma-keto acids and derivativeshydrocarbon derivativesorganic oxidesphenylpropanesphenylpropanoic acidssecondary alcohols |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketone3-phenylpropanoic-acidbenzoylcarboxylic acid derivativephenylpropanebeta-hydroxy acidorganic oxidealcoholhydroxy acidgamma-keto acidbutyrophenonearomatic homomonocyclic compoundketo acidacyloinsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidalkyl-phenylketone |
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