| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:43 UTC |
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| Update Date | 2025-03-25 00:48:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170929 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11Cl2NO2 |
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| Molecular Mass | 235.0167 |
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| SMILES | CNCC(O)c1cc(Cl)c(O)cc1Cl |
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| InChI Key | LLEOZEHKYGIOFY-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 | halobenzenes |
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| Direct Parent | dichlorobenzenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaromatic alcoholsaryl chloridesdialkylamineshalophenolshydrocarbon derivativesm-chlorophenolso-chlorophenolsorganochloridesorganopnictogen compoundssecondary alcohols |
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| Substituents | aromatic alcoholorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundorganonitrogen compoundorganopnictogen compoundaryl chloride2-chlorophenolalcohol3-halophenol3-chlorophenolsecondary aliphatic amine1,4-dichlorobenzenesecondary aminearyl halidearomatic homomonocyclic compound2-halophenolorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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