| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:38 UTC |
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| Update Date | 2025-03-25 00:50:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182245 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17ClO12 |
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| Molecular Mass | 388.0409 |
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| SMILES | O=C(O)C1OC(CCl)(OC2C(C(=O)O)OC(O)C(O)C2O)C(O)C1O |
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| InChI Key | HVHUHHQOYDJZIA-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 | alkyl chloridesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshemiacetalshydrocarbon derivativesketalsmonosaccharidesorganic oxidesorganochloridesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholstetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidglucuronic acid or derivativesalkyl chlorideorganochloridemonosaccharidecarboxylic acid derivativeorganohalogen compoundpyran carboxylic acidbeta-hydroxy acidorganic oxideacetalketalaliphatic heteromonocyclic compoundhemiacetalalkyl halideoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativestetrahydrofuranhydroxy acidoxacyclepyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivative |
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