| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:55:08 UTC |
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| Update Date | 2025-03-21 18:04:28 UTC |
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| HMDB ID | HMDB0245839 |
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| Metabolite Identification |
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| DeepMet ID | DMID00050805 |
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| Name | 3-Chloroaniline |
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| Frequency | 64.5 |
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| Structure | |
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| Chemical Formula | C6H6ClN |
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| Molecular Mass | 127.0189 |
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| SMILES | Nc1cccc(Cl)c1 |
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| InChI Key | PNPCRKVUWYDDST-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 | chlorobenzenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl chlorideshydrocarbon derivativesorganochloridesorganopnictogen compoundsprimary amines |
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| Substituents | aryl chloridechlorobenzeneorganochlorideorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamine |
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