| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:53 UTC |
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| Update Date | 2025-03-21 17:57:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00008178 |
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| Frequency | 603.2 |
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| Structure | |
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| Chemical Formula | C8H10ClNO |
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| Molecular Mass | 171.0451 |
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| SMILES | NCCc1ccc(O)c(Cl)c1 |
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| InChI Key | VATRCWZBGYJZOX-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 | phenols |
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| Subclass | halophenols |
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| Direct Parent | halophenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaryl chlorideschlorobenzeneshydrocarbon derivativesmonoalkylamineso-chlorophenolsorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | aryl chloride2-chlorophenolchlorobenzenemonocyclic benzene moietyorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundaryl halidearomatic homomonocyclic compound2-halophenolorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
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