| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:35 UTC |
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| Update Date | 2025-03-21 18:31:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00087446 |
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| Frequency | 32.5 |
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| Structure | |
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| Chemical Formula | C8H9Cl2NO |
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| Molecular Mass | 205.0061 |
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| SMILES | NCC(O)c1ccc(Cl)c(Cl)c1 |
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| InChI Key | KAFHLYIMFOUYGL-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 | aromatic alcoholsaryl chlorideshydrocarbon derivativesmonoalkylaminesorganochloridesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | aromatic alcoholaryl chloridealcoholorganochlorideorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivative1,2-dichlorobenzeneprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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