| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:14 UTC |
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| Update Date | 2025-03-25 00:56:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218040 |
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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 | Cc1ccc(C(=O)CC(N)=O)cc1C |
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| InChI Key | ZPZVQSJTMRKBQR-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 ketonesbenzoyl derivativescarboxylic acids and derivativesfatty amideshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amideso-xylenes |
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| Substituents | primary carboxylic acid amidefatty acylmonocyclic benzene moietyaryl alkyl ketonefatty amidebenzoylcarboxylic acid derivativexyleneorganic oxideorganonitrogen compoundorganopnictogen compoundcarboxamide grouparomatic homomonocyclic compoundo-xylenehydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketone |
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