| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:37 UTC |
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| Update Date | 2025-03-25 00:45:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150236 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H9ClO2 |
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| Molecular Mass | 160.0291 |
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| SMILES | CC1=C(C(=O)O)CC(Cl)C1 |
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| InChI Key | KPIAAJUYZLOQEJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | carboxylic acids |
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| Direct Parent | carboxylic acids |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alkyl chloridescarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochlorides |
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| Substituents | carbonyl groupcarboxylic acidalkyl chlorideorganochlorideorganohalogen compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic homomonocyclic compoundalkyl halidehydrocarbon derivativeorganooxygen compound |
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