| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:31 UTC |
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| Update Date | 2025-03-21 18:01:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00032570 |
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| Frequency | 112.0 |
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| Structure | |
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| Chemical Formula | C9H12ClNO2 |
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| Molecular Mass | 201.0557 |
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| SMILES | CNCC(O)c1ccc(O)c(Cl)c1 |
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| InChI Key | RBIFBDKGKDODRS-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 benzenoidsaromatic alcoholsaryl chlorideschlorobenzenesdialkylamineshydrocarbon derivativeso-chlorophenolsorganochloridesorganopnictogen compoundssecondary alcohols |
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| Substituents | aromatic alcoholmonocyclic benzene moietyorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundorganonitrogen compoundorganopnictogen compoundaryl chloride2-chlorophenolchlorobenzenealcoholsecondary aliphatic aminesecondary aminearyl halidearomatic homomonocyclic compound2-halophenolorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compoundamine |
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