| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:41 UTC |
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| Update Date | 2025-03-25 01:02:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253220 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H15Cl3O8 |
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| Molecular Mass | 415.9832 |
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| SMILES | O=C(O)C1OC(Oc2ccc(C(O)C(Cl)(Cl)Cl)cc2)C(O)C(O)C1O |
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| InChI Key | QFCAQLUYCGOQHR-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalkyl chloridesaromatic alcoholsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschlorohydrinsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganochloridesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | aromatic alcoholphenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidchlorohydrinaromatic heteromonocyclic compoundalkyl chlorideorganochlorideo-glucuronidemonosaccharidecarboxylic acid derivativeorganohalogen compoundpyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalalkyl halideoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshalohydrinhydroxy acidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidphenoxy compound |
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