| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:08 UTC |
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| Update Date | 2025-03-25 00:45:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151441 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12ClNO8 |
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| Molecular Mass | 345.0251 |
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| SMILES | N#Cc1cc(Cl)c(O)c(OC2OC(C(=O)O)C(O)C(O)C2O)c1 |
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| InChI Key | AZMHESYWYMMJMS-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 | acetalsaryl chloridesbenzonitrilesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschlorobenzenesglucuronic acid derivativeshalophenolshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesnitrileso-chlorophenolsorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupnitrilecarboxylic acidaromatic heteromonocyclic compoundorganochlorideo-glucuronidemonosaccharidecarboxylic acid derivativeorganohalogen compoundpyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxanecarbonitrileorganoheterocyclic compoundaryl chloride2-chlorophenolchlorobenzenealcoholpyran carboxylic acid or derivativeshydroxy acidbenzonitrilearyl halide2-halophenoloxacyclemonocarboxylic acid or derivativespyransecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compound |
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