| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:17 UTC |
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| Update Date | 2025-03-25 00:46:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156431 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13ClNO+ |
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| Molecular Mass | 186.068 |
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| SMILES | C[N+](C)(C)c1ccc(O)c(Cl)c1 |
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| InChI Key | ZCZNLIZLNOQXIQ-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | halophenols |
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| Direct Parent | halophenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaminesaniline and substituted anilinesaryl chlorideschlorobenzeneshydrocarbon derivativeso-chlorophenolsorganic cationsorganic saltsorganochloridesorganooxygen compoundsorganopnictogen compoundsquaternary ammonium saltsp-aminophenols |
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| Substituents | monocyclic benzene moietyorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltaryl chloride2-chlorophenolchlorobenzeneaniline or substituted anilinesquaternary ammonium saltaminophenolaryl halidearomatic homomonocyclic compound2-halophenolorganic oxygen compoundp-aminophenolhydrocarbon derivativeorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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