| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:13:18 UTC |
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| Update Date | 2025-03-21 22:12:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00516455 |
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| Frequency | 3.3 |
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| Structure | |
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| Chemical Formula | C3H3ClO3 |
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| Molecular Mass | 121.9771 |
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| SMILES | O=CC(Cl)C(=O)O |
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| InChI Key | ATOANBAQAPGTRD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | 1,3-dicarbonyl compounds |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | aldehydesalkyl chloridesalpha-halocarboxylic acidscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochlorides |
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| Substituents | alpha-halocarboxylic acid or derivativesaliphatic acyclic compoundcarboxylic acidalkyl chlorideorganochloridealdehydealpha-halocarboxylic acidcarboxylic acid derivativeorganohalogen compoundorganic oxidemonocarboxylic acid or derivativesalkyl halidehydrocarbon derivative1,3-dicarbonyl compound |
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