| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:28 UTC |
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| Update Date | 2025-03-25 00:53:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200025 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10N2O |
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| Molecular Mass | 174.0793 |
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| SMILES | N#Cc1ccc(C(=O)CCN)cc1 |
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| InChI Key | FXHOXKWSEDKVNK-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 ketonesbenzonitrilesbenzoyl derivativeshydrocarbon derivativesmonoalkylaminesnitrilesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | monocyclic benzene moietynitrilearyl alkyl ketonebenzoylbenzonitrilearomatic homomonocyclic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundcarbonitrilealkyl-phenylketone |
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