| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:32 UTC |
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| Update Date | 2025-03-25 00:56:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221095 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H9ClO5 |
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| Molecular Mass | 208.0139 |
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| SMILES | O=C1C(O)CC(O)(C(=O)O)CC1Cl |
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| InChI Key | ZLJBERCCGFVAIH-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 | hydroxy acids and derivatives |
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| Subclass | alpha hydroxy acids and derivatives |
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| Direct Parent | alpha hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alkyl chloridesalpha-chloroketonescarboxylic acidscyclic alcohols and derivativescyclic ketoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridessecondary alcoholstertiary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidalkyl chlorideorganochloridealpha-hydroxy acidcyclic ketonecyclic alcoholcarboxylic acid derivativeorganohalogen compoundalpha-chloroketoneketonetertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholaliphatic homomonocyclic compoundalpha-haloketonealkyl halidehydrocarbon derivativeorganooxygen compound |
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