| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:33 UTC |
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| Update Date | 2025-03-25 00:47:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161395 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H14ClNO |
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| Molecular Mass | 199.0764 |
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| SMILES | NCCCCc1ccc(O)c(Cl)c1 |
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| InChI Key | ZARAXYXFIMBGDJ-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 | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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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 compounds |
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| Substituents | aryl chloride2-chlorophenolchlorobenzeneorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundaryl halidearomatic homomonocyclic compound2-halophenolphenylbutylamineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
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