| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:01 UTC |
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| Update Date | 2025-03-25 00:50:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178589 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H11ClO6 |
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| Molecular Mass | 226.0244 |
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| SMILES | COC1OC(C(=O)O)C(O)C(Cl)C1O |
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| InChI Key | HDRBTHYPTMBSKP-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 | carbohydrates and carbohydrate conjugates |
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| Direct Parent | glucuronic acid derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalkyl chloridesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschlorohydrinshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganochloridesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidglucuronic acid or derivativeschlorohydrinalkyl chlorideorganochloridemonosaccharidecarboxylic acid derivativeorganohalogen compoundpyran carboxylic acidbeta-hydroxy acidorganic oxideacetalaliphatic heteromonocyclic compoundalkyl halideoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshalohydrinhydroxy acidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivative |
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