| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:45 UTC |
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| Update Date | 2025-03-21 18:06:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00063937 |
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| Frequency | 48.2 |
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| Structure | |
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| Chemical Formula | C8H7ClO2 |
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| Molecular Mass | 170.0135 |
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| SMILES | COC(=O)c1ccccc1Cl |
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| InChI Key | JAVRNIFMYIJXIE-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 | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 2-halobenzoic acids and derivativesaryl chloridesbenzoyl derivativeschlorobenzeneshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganooxygen compoundsvinylogous halides |
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| Substituents | aryl chloridechlorobenzeneorganochloridebenzoylbenzoate esterhalobenzoic acid or derivativescarboxylic acid derivativeorganohalogen compoundvinylogous halide2-halobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativehalobenzeneorganooxygen compound |
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