| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:14 UTC |
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| Update Date | 2025-03-21 17:59:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00020297 |
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| Frequency | 199.9 |
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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)c1cccc(Cl)c1 |
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| InChI Key | XRDRKVPNHIWTBX-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 | 3-halobenzoic acids and derivativesaryl chloridesbenzoyl derivativeschlorobenzeneshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganooxygen compounds |
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| Substituents | aryl chloridechlorobenzene3-halobenzoic acid or derivativesorganochloridebenzoylbenzoate esterhalobenzoic acid or derivativescarboxylic acid derivativeorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativehalobenzeneorganooxygen compound |
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