| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:23 UTC |
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| Update Date | 2025-03-25 00:57:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225259 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11NO2 |
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| Molecular Mass | 177.079 |
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| SMILES | CC(=O)c1ccc(C)c(C(N)=O)c1 |
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| InChI Key | PYXUMHGRNROLEY-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 ketonesbenzamidesbenzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsprimary carboxylic acid amideso-toluamides |
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| Substituents | primary carboxylic acid amidemonocyclic benzene moietyaryl alkyl ketonebenzoylcarboxylic acid derivativetoluamidebenzamideorganic oxideo-toluamideorganonitrogen compoundacetophenoneorganopnictogen compoundbenzoic acid or derivativescarboxamide grouparomatic homomonocyclic compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundtoluenealkyl-phenylketone |
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