| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:46:49 UTC |
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| Update Date | 2025-03-21 18:50:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00173598 |
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| Frequency | 13.4 |
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| Structure | |
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| Chemical Formula | C7H7NO |
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| Molecular Mass | 121.0528 |
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| SMILES | O=CCc1ccccn1 |
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| InChI Key | BPBDVCVMDGMPEW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyridines and derivatives |
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| Subclass | halopyridines |
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| Direct Parent | 2-halopyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha-hydrogen aldehydesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyridines and derivatives |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundazacycleheteroaromatic compoundaldehydeorganic oxideorganic oxygen compoundalpha-hydrogen aldehydeorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compound |
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