| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:30 UTC |
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| Update Date | 2025-03-21 18:41:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135186 |
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| Frequency | 18.6 |
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| Structure | |
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| Chemical Formula | C12H16O2 |
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| Molecular Mass | 192.115 |
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| SMILES | O=C(CCCCCO)c1ccccc1 |
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| InChI Key | PUATWLVUUBATLK-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 | alcohols and polyolsaryl alkyl ketonesbenzoyl derivativesbutyrophenonesfatty alcoholshydrocarbon derivativesorganic oxides |
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| Substituents | alcoholfatty acylmonocyclic benzene moietyaryl alkyl ketonebenzoylbutyrophenonearomatic homomonocyclic compoundorganic oxidefatty alcoholhydrocarbon derivativebenzenoidalkyl-phenylketone |
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