| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:06 UTC |
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| Update Date | 2025-03-21 18:39:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00124881 |
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| Frequency | 20.6 |
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| Structure | |
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| Chemical Formula | C7H11ClO5 |
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| Molecular Mass | 210.0295 |
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| SMILES | O=C(O)C1(O)CC(O)C(O)C(Cl)C1 |
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| InChI Key | VGGXFRJLMQLZCR-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 | alcohols and polyols |
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| Direct Parent | quinic acids and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alkyl chloridesalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidschlorohydrinscyclohexanolscyclohexyl halideshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridestertiary alcohols |
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| Substituents | carbonyl groupcarboxylic acidchlorohydrinalkyl chlorideorganochloridealpha-hydroxy acidcyclohexyl halidecarboxylic acid derivativeorganohalogen compoundorganic oxidealkyl halidehalohydrincyclohexanolhydroxy acidtertiary alcoholmonocarboxylic acid or derivativessecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativequinic acid |
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