| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:35:13 UTC |
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| Update Date | 2025-03-21 17:56:55 UTC |
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| HMDB ID | HMDB0246393 |
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| Metabolite Identification |
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| DeepMet ID | DMID00004379 |
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| Name | 4-Chlorobenzoic acid |
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| Frequency | 1285.5 |
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| Structure | |
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| Chemical Formula | C7H5ClO2 |
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| Molecular Mass | 155.9978 |
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| SMILES | O=C(O)c1ccc(Cl)cc1 |
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| InChI Key | XRHGYUZYPHTUJZ-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 | halobenzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 4-halobenzoic acidsaryl chloridesbenzoic acidsbenzoyl derivativescarboxylic acidschlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganooxygen compounds |
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| Substituents | aryl chloridechlorobenzenehalobenzoic acidcarboxylic acid4-halobenzoic acidorganochloridebenzoylcarboxylic acid derivativeorganohalogen compoundaryl halide4-halobenzoic acid or derivativesaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativehalobenzenebenzoic acidorganooxygen compound |
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