| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:33 UTC |
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| Update Date | 2025-03-25 00:57:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225622 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H17NO2 |
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| Molecular Mass | 255.1259 |
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| SMILES | CC(C)C(O)c1cccc(C(=O)c2ccccn2)c1 |
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| InChI Key | AQESNEKHOMIOGD-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 | aryl-phenylketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesaromatic alcoholsaryl ketonesazacyclic compoundsbenzoyl derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanespyridinecarboxylic acids and derivativessecondary alcohols |
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| Substituents | aromatic alcoholpyridine carboxylic acid or derivativesmonocyclic benzene moietyaromatic heteromonocyclic compoundbenzoylphenylpropaneorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineorganoheterocyclic compoundalcoholazacyclearyl-phenylketoneheteroaromatic compoundhydroxypyridinemethylpyridinepyridinesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compound |
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