| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:10 UTC |
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| Update Date | 2025-03-21 18:29:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00079411 |
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| Frequency | 36.7 |
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| Structure | |
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| Chemical Formula | C7H6ClNO2 |
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| Molecular Mass | 171.0087 |
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| SMILES | NC(=O)c1ccc(O)c(Cl)c1 |
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| InChI Key | ZGWONVASQBZHTN-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 | 3-halobenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaryl chloridesbenzamidesbenzoyl derivativescarboxylic acids and derivativeschlorobenzeneshalophenolshydrocarbon derivativeso-chlorophenolsorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amide3-halobenzoic acid or derivativesorganochloridebenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compoundbenzamideorganic oxideorganonitrogen compoundorganopnictogen compoundaryl chloride2-chlorophenolchlorobenzenecarboxamide grouparyl halidearomatic homomonocyclic compound2-halophenolorganic oxygen compoundphenolhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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