| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:01 UTC |
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| Update Date | 2025-03-25 00:47:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160210 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14ClNO6 |
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| Molecular Mass | 303.051 |
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| SMILES | Nc1ccccc1OC1OC(C(=O)O)C(Cl)C(O)C1O |
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| InChI Key | DWUOQKSTTODVGW-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 chloridesamino acidscarbonyl compoundscarboxylic acidschlorohydrinshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganochloridesorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundsprimary aminespyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativeschlorohydrinaromatic heteromonocyclic compoundamino acid or derivativesamino acidalkyl chlorideorganochloridemonosaccharidecarboxylic acid derivativeorganohalogen compoundpyran carboxylic acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundalkyl halideoxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativeshalohydrinoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundphenoxy compoundamine |
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