| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:33 UTC |
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| Update Date | 2025-03-25 00:48:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168287 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H22O5 |
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| Molecular Mass | 306.1467 |
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| SMILES | CC(CCCC(=O)c1ccc(C(C)(C)C(=O)O)cc1)C(=O)O |
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| InChI Key | PFFSSPKNDDIMCJ-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 derivativesbutyrophenonescarbocyclic fatty acidscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain fatty acidsmethyl-branched fatty acidsorganic oxidesphenylpropanes |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoylfatty acidcarboxylic acid derivativephenylpropaneorganic oxidemedium-chain fatty acidmethyl-branched fatty acidbranched fatty acidbutyrophenonearomatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidalkyl-phenylketone |
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