| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:01 UTC |
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| Update Date | 2025-03-25 00:49:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171616 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15ClN2O3 |
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| Molecular Mass | 270.0771 |
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| SMILES | CN(CCCC(C(=O)O)c1cccc(Cl)c1)N=O |
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| InChI Key | ZKLNGRUTRWCYIV-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 | aryl chloridescarbonyl compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic n-nitroso compoundsorganic oxidesorganochloridesorganopnictogen compounds |
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| Substituents | aryl chloridechlorobenzenecarbonyl grouporganic nitroso compoundcarboxylic acidorganochloridecarboxylic acid derivativeorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganic n-nitroso compoundorganic oxidemonocarboxylic acid or derivativesphenylbutylamineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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