| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:45 UTC |
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| Update Date | 2025-03-21 18:37:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00114612 |
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| Frequency | 23.0 |
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| Structure | |
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| Chemical Formula | C7H5NO2 |
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| Molecular Mass | 135.032 |
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| SMILES | O=CC(=O)c1ccccn1 |
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| InChI Key | OKFDXTIEYZZMOM-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 ketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha ketoaldehydesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyridines and derivatives |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundaldehydeorganic oxidepyridineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundalpha-ketoaldehydeorganoheterocyclic compoundaryl ketone |
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