| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:59 UTC |
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| Update Date | 2025-03-21 18:30:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00083730 |
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| Frequency | 34.3 |
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| Structure | |
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| Chemical Formula | C9H11NO |
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| Molecular Mass | 149.0841 |
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| SMILES | CC(C)C(=O)c1ccccn1 |
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| InChI Key | OPPJOYDMQXHCFS-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 compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | aryl alkyl ketonearomatic heteromonocyclic compoundazacycleheteroaromatic compoundmethylpyridineorganic oxidepyridineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganoheterocyclic compound |
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