| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:42:26 UTC |
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| Update Date | 2025-03-21 18:48:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00163173 |
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| Frequency | 14.6 |
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| Structure | |
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| Chemical Formula | C9H7NO |
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| Molecular Mass | 145.0528 |
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| SMILES | CC(=O)c1cccc(C#N)c1 |
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| InChI Key | SBCFGFDAZCTSRH-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 | acetophenonesaryl alkyl ketonesbenzonitrilesbenzoyl derivativeshydrocarbon derivativesnitrilesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | monocyclic benzene moietynitrilearyl alkyl ketonebenzoylbenzonitrilearomatic homomonocyclic compoundorganic oxideorganonitrogen compoundacetophenoneorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcarbonitrilealkyl-phenylketone |
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