| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:01 UTC |
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| Update Date | 2025-03-25 00:47:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164762 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11NO2 |
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| Molecular Mass | 165.079 |
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| SMILES | CC(O)CC(=O)c1ccccn1 |
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| InChI Key | JMNSVXUSTVRSOT-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 alkyl ketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsbeta-hydroxy ketonesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | alcoholbeta-hydroxy ketonearyl alkyl ketonearomatic heteromonocyclic compoundazacycleheteroaromatic compoundhydroxypyridinemethylpyridineorganic oxidepyridineorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganoheterocyclic compound |
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