| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:50 UTC |
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| Update Date | 2025-03-21 18:37:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00114815 |
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| Frequency | 23.0 |
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| Structure | |
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| Chemical Formula | C8H8ClNO |
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| Molecular Mass | 169.0294 |
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| SMILES | CNC(=O)c1ccccc1Cl |
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| InChI Key | ITXNDDPDABTCBO-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 | benzoic acids and derivatives |
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| Direct Parent | 2-halobenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl chloridesbenzamidesbenzoyl derivativescarboxylic acids and derivativeschlorobenzeneshydrocarbon derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssecondary carboxylic acid amidesvinylogous halides |
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| Substituents | organochloridebenzoylcarboxylic acid derivativeorganohalogen compoundbenzamideorganic oxideorganonitrogen compoundorganopnictogen compoundaryl chloridechlorobenzenecarboxamide groupvinylogous halide2-halobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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