| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:41 UTC |
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| Update Date | 2025-03-25 00:50:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182365 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H12ClNO |
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| Molecular Mass | 245.0607 |
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| SMILES | OC1c2ccc(Cl)cc2CCc2ncccc21 |
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| InChI Key | NLYXKGFBRJNEFO-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 | benzocycloheptapyridines |
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| Subclass | benzocycloheptapyridines |
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| Direct Parent | benzocycloheptapyridines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesaryl chloridesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganochloridesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessecondary alcohols |
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| Substituents | aryl chloridealcoholazacyclepolyhalopyridineorganochlorideheteroaromatic compoundhydroxypyridineorganohalogen compoundaryl halidepyridineorganic oxygen compoundaromatic heteropolycyclic compoundbenzocycloheptapyridineorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundorganooxygen compound |
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