| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:20 UTC |
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| Update Date | 2025-03-21 18:39:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125424 |
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| Frequency | 20.5 |
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| Structure | |
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| Chemical Formula | C12H10Cl4O6 |
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| Molecular Mass | 389.9231 |
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| SMILES | O=C(O)C1OC(Oc2cc(Cl)c(Cl)cc2Cl)C(O)C(O)C1Cl |
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| InChI Key | LSJDIGFJEYPYGB-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsacetalsalkyl chloridesaryl chloridescarbonyl compoundscarboxylic acidschlorobenzeneschlorohydrinshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganochloridesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativeschlorohydrinaromatic heteromonocyclic compoundalkyl chlorideorganochloridemonosaccharidecarboxylic acid derivativeorganohalogen compoundpyran carboxylic acidorganic oxideacetalalkyl halideoxaneorganoheterocyclic compound1,2-diolaryl chloridechlorobenzenealcoholpyran carboxylic acid or derivativeshalohydrinaryl halideoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidhalobenzenephenoxy compound |
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