| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:24 UTC |
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| Update Date | 2025-03-25 00:47:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161081 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16ClNO3 |
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| Molecular Mass | 245.0819 |
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| SMILES | NCC(O)C(CO)Cc1ccc(O)c(Cl)c1 |
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| InChI Key | WRXAPANHVPNRLW-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 compoundsorganopnictogen compoundsprimary alcoholssecondary alcohols |
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| Substituents | organochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundphenylbutylamineorganonitrogen compoundorganopnictogen compoundprimary alcoholaryl chloride2-chlorophenolchlorobenzenealcoholaryl halidearomatic homomonocyclic compound2-halophenolorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
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