| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:15 UTC |
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| Update Date | 2025-03-25 01:00:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240690 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H13NO2 |
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| Molecular Mass | 227.0946 |
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| SMILES | CC(C(=O)c1ccc(O)cc1)c1ccccn1 |
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| InChI Key | HFAHULAYOXLSGF-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 heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids2-halopyridinesaryl alkyl ketonesazacyclic compoundsbenzoyl derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenylpropanes |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonearomatic heteromonocyclic compoundbenzoyl1-hydroxy-2-unsubstituted benzenoidphenylpropaneorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinemethylpyridinepyridinephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketone |
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