| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:30 UTC |
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| Update Date | 2025-03-21 18:38:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121145 |
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| Frequency | 21.4 |
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| Structure | |
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| Chemical Formula | C10H14N2O2 |
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| Molecular Mass | 194.1055 |
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| SMILES | NCC(O)CC(=O)c1ccccc1N |
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| InChI Key | UCYQHCCJDCOMDB-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 ketonesbutyrophenoneshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundsphenylbutylaminessecondary alcoholsvinylogous amides |
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| Substituents | beta-hydroxy ketonemonocyclic benzene moietyaryl alkyl ketonebenzoylorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundalcoholvinylogous amidebutyrophenonearomatic homomonocyclic compoundsecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
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