| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:43 UTC |
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| Update Date | 2025-03-25 00:57:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225992 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO3 |
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| Molecular Mass | 221.1052 |
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| SMILES | CC(=O)NCC(O)CC(=O)c1ccccc1 |
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| InChI Key | OENDZSYPNOGQIT-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 | acetamidesaryl alkyl ketonesbenzoyl derivativesbeta-hydroxy ketonesbutyrophenonescarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylbutylaminessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | beta-hydroxy ketonemonocyclic benzene moietyaryl alkyl ketonebenzoylcarboxylic acid derivativeorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundacetamidealcoholcarboxamide groupbutyrophenonearomatic homomonocyclic compoundsecondary carboxylic acid amidesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketone |
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