| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:29 UTC |
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| Update Date | 2025-03-21 18:01:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00034898 |
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| Frequency | 102.7 |
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| Structure | |
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| Chemical Formula | C9H12ClNO |
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| Molecular Mass | 185.0607 |
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| SMILES | CC(N)Cc1ccc(O)c(Cl)c1 |
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| InChI Key | XAROQDPJMGCSII-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenethylamines |
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| Direct Parent | amphetamines and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaryl chlorideschlorobenzeneshalophenolshydrocarbon derivativesmonoalkylamineso-chlorophenolsorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenylpropanes |
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| Substituents | aryl chloride2-chlorophenolchlorobenzeneorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundaryl halidephenylpropanearomatic homomonocyclic compound2-halophenolorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compoundamphetamine or derivatives |
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