| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:16 UTC |
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| Update Date | 2025-03-21 18:31:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00084369 |
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| Frequency | 34.0 |
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| Structure | |
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| Chemical Formula | C12H13ClO6 |
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| Molecular Mass | 288.0401 |
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| SMILES | O=C(O)C1OC(Oc2ccccc2)C(O)C(O)C1Cl |
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| InChI Key | WFBSGTDXRDSLHQ-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 chloridescarbonyl compoundscarboxylic acidschlorohydrinshydrocarbon 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-diolalcoholpyran carboxylic acid or derivativeshalohydrinoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidphenoxy compound |
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