| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:19 UTC |
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| Update Date | 2025-03-25 00:46:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154262 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H6ClNO |
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| Molecular Mass | 143.0138 |
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| SMILES | COc1cc(Cl)ccn1 |
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| InChI Key | WTDUQQXDOAPXAQ-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 | 2-halopyridinesalkyl aryl ethersaryl chloridesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganochloridesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aryl chlorideetheraromatic heteromonocyclic compoundazacyclepolyhalopyridineorganochlorideheteroaromatic compoundmethylpyridinealkyl aryl etherorganohalogen compoundaryl halideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compound |
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