| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:27 UTC |
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| Update Date | 2025-03-21 18:05:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00056104 |
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| Frequency | 56.9 |
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| Structure | |
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| Chemical Formula | C7H9NO |
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| Molecular Mass | 123.0684 |
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| SMILES | COc1ccncc1C |
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| InChI Key | NCBHMODQBDKRJC-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 | polyhalopyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | etheraromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundmethylpyridinealkyl aryl etherorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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