| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:51 UTC |
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| Update Date | 2025-03-21 18:39:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126678 |
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| Frequency | 20.2 |
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| Structure | |
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| Chemical Formula | C12H14O4 |
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| Molecular Mass | 222.0892 |
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| SMILES | O=C(O)CCCCC(=O)c1cccc(O)c1 |
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| InChI Key | RRIWWXNZFWPPIW-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 benzenoidsaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarbocyclic fatty acidscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidfatty acidcarboxylic acid derivativemedium-chain hydroxy acidorganic oxidemedium-chain fatty acidhydroxy fatty acid1-hydroxy-4-unsubstituted benzenoidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidalkyl-phenylketone |
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