| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:31 UTC |
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| Update Date | 2025-03-21 18:05:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00058634 |
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| Frequency | 53.8 |
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| Structure | |
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| Chemical Formula | C9H11NO2 |
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| Molecular Mass | 165.079 |
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| SMILES | NC(CO)C(=O)c1ccccc1 |
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| InChI Key | XQRAVJOTJAQCIZ-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 ketoneshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcohols |
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| Substituents | alcoholbeta-hydroxy ketonemonocyclic benzene moietyaryl alkyl ketonebenzoylaromatic homomonocyclic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundprimary alcoholalkyl-phenylketone |
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