| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:58 UTC |
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| Update Date | 2025-03-21 17:58:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00017481 |
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| Frequency | 241.5 |
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| Structure | |
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| Chemical Formula | C12H13ClO8 |
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| Molecular Mass | 320.0299 |
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| SMILES | O=C(O)C1OC(Oc2ccc(Cl)cc2O)C(O)C(O)C1O |
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| InChI Key | PXOAYLXMILDNKC-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 acidschlorobenzenesglucuronic acid derivativeshalophenolshydrocarbon derivativesm-chlorophenolsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganochloridesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganochlorideo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativeorganohalogen compoundpyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundaryl chloridechlorobenzenealcohol3-halophenol3-chlorophenolpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidaryl halideoxacyclemonocarboxylic acid or derivativespyransecondary alcoholphenolhydrocarbon derivativebenzenoidhalobenzenephenoxy compound |
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