| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:31 UTC |
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| Update Date | 2025-03-25 00:57:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225556 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NO2 |
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| Molecular Mass | 191.0946 |
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| SMILES | CC(C)C(=O)c1ccccc1C(N)=O |
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| InChI Key | CCTNKHZBBJUUDB-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 ketonesbenzamidesbenzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenylpropanesprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidemonocyclic benzene moietyaryl alkyl ketonebenzoylbenzoic acid or derivativescarboxamide groupcarboxylic acid derivativebenzamidephenylpropanearomatic homomonocyclic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketone |
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