| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:34 UTC |
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| Update Date | 2025-03-25 00:56:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221189 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H17ClO10 |
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| Molecular Mass | 428.051 |
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| SMILES | O=C(O)C1OC(Oc2cc(O)cc(O)c2-c2ccc(O)c(Cl)c2)C(O)C(O)C1O |
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| InChI Key | WIOGDTXABTYQFE-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsaryl chloridesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschlorinated biphenylschlorobenzenesglucuronic acid derivativeshalophenolshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-chlorophenolsorganic oxidesorganochloridesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidsresorcinolssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganochlorideo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativeorganohalogen compoundpyran carboxylic acidresorcinol1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundaryl chloride2-chlorophenolchlorobenzenealcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidaryl halide2-halophenoloxacyclemonocarboxylic acid or derivativespyransecondary alcoholphenolhydrocarbon derivativebenzenoidhalobenzenephenoxy compoundchlorinated biphenyl |
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