| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:06 UTC |
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| Update Date | 2025-03-21 18:07:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00067182 |
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| Frequency | 45.3 |
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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 | O=C(O)C(Cl)c1ccccc1 |
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| InChI Key | QKSGIGXOKHZCQZ-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl chloridesalpha-halocarboxylic acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochlorides |
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| Substituents | alpha-halocarboxylic acid or derivativesmonocyclic benzene moietycarbonyl groupcarboxylic acidalkyl chlorideorganochloridealpha-halocarboxylic acidcarboxylic acid derivativeorganohalogen compoundaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalkyl halidehydrocarbon derivativeorganooxygen compound |
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