| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:34 UTC |
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| Update Date | 2025-03-21 18:38:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121341 |
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| Frequency | 21.4 |
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| Structure | |
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| Chemical Formula | C14H14ClNO2 |
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| Molecular Mass | 263.0713 |
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| SMILES | NCCc1ccc(Oc2ccc(O)cc2)c(Cl)c1 |
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| InChI Key | HFXMWHVLJDRNAT-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 | diphenylethers |
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| Direct Parent | diphenylethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaryl chlorideschlorobenzenesdiarylethershydrocarbon derivativesmonoalkylaminesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compounds |
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| Substituents | aryl chloridechlorobenzenediaryl etherphenol etheretherorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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