| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:32 UTC |
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| Update Date | 2025-03-21 18:33:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094492 |
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| Frequency | 29.4 |
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| Structure | |
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| Chemical Formula | C9H9NO2 |
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| Molecular Mass | 163.0633 |
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| SMILES | CC(=O)c1cccc(C(N)=O)c1 |
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| InChI Key | VTBUZDRQHQPEQY-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 amides |
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| Substituents | primary carboxylic acid amidemonocyclic benzene moietyaryl alkyl ketonebenzoylbenzoic acid or derivativescarboxamide groupcarboxylic acid derivativebenzamidearomatic homomonocyclic compoundorganic oxideorganonitrogen compoundacetophenoneorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketone |
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