| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:40 UTC |
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| Update Date | 2025-03-25 00:53:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202755 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9ClO2 |
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| Molecular Mass | 184.0291 |
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| SMILES | O=C(O)Cc1ccc(CCl)cc1 |
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| InChI Key | GJNNLILROAPGRC-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 | benzyl halides |
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| Direct Parent | benzyl chlorides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl chloridescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochlorides |
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| Substituents | carbonyl groupcarboxylic acidalkyl chlorideorganochloridecarboxylic acid derivativeorganohalogen compoundbenzyl chloridearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalkyl halidehydrocarbon derivativeorganooxygen compound |
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