| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:38 UTC |
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| Update Date | 2025-03-21 18:06:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00063651 |
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| Frequency | 48.5 |
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| Structure | |
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| Chemical Formula | C11H15ClN2O2 |
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| Molecular Mass | 242.0822 |
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| SMILES | CN(CCCC(O)c1cccc(Cl)c1)N=O |
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| InChI Key | OXCYCKWETFKUNN-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 | aromatic alcoholsaryl chlorideschlorobenzeneshydrocarbon derivativesorganic n-nitroso compoundsorganic oxidesorganochloridesorganopnictogen compoundssecondary alcohols |
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| Substituents | aromatic alcoholaryl chloridechlorobenzenealcoholorganic nitroso compoundorganochlorideorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganic n-nitroso compoundorganic oxidephenylbutylamineorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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