| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:24 UTC |
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| Update Date | 2025-03-25 00:59:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238755 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16Cl2O11 |
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| Molecular Mass | 406.007 |
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| SMILES | O=C(O)C1OC(OC2(CCl)OC(C(=O)O)C(Cl)C2O)C(O)C(O)C1O |
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| InChI Key | WYXPRBPEDFBGRR-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 | o-glucuronides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alkyl chloridesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschlorohydrinsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesketalsmonosaccharidesorganic oxidesorganochloridesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholstetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidchlorohydrinalkyl chlorideorganochlorideo-glucuronidemonosaccharidecarboxylic acid derivativeorganohalogen compoundpyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalketalaliphatic heteromonocyclic compoundalkyl halideoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativestetrahydrofuranhalohydrinhydroxy acidoxacyclepyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivative |
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