| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:34 UTC |
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| Update Date | 2025-03-21 18:04:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00049491 |
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| Frequency | 66.6 |
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| Structure | |
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| Chemical Formula | C11H12O4 |
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| Molecular Mass | 208.0736 |
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| SMILES | O=C(O)CC(O)CC(=O)c1ccccc1 |
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| InChI Key | APSGZQAWZPUIDV-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 | aryl alkyl ketonesbenzoyl derivativesbeta hydroxy acids and derivativesbeta-hydroxy ketonesbutyrophenonescarbocyclic fatty acidscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | fatty acylbeta-hydroxy ketonecarbocyclic fatty acidmonocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoylfatty acidcarboxylic acid derivativemedium-chain hydroxy acidbeta-hydroxy acidorganic oxidemedium-chain fatty acidhydroxy fatty acidalcoholhydroxy acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativessecondary alcoholhydrocarbon derivativebenzenoidalkyl-phenylketone |
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