| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:08 UTC |
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| Update Date | 2025-03-21 18:04:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048467 |
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| Frequency | 68.4 |
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| Structure | |
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| Chemical Formula | C14H16ClNO8 |
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| Molecular Mass | 361.0564 |
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| SMILES | CC(=O)Nc1ccc(Cl)cc1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | UXSJZJVJDQAAEF-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 | acetalsacetamidesaryl chloridesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschlorobenzenesglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesn-acetylarylaminesorganic oxidesorganochloridesorganopnictogen compoundsoxacyclic compoundsoxanesp-haloacetanilidesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidn-acetylarylaminearomatic heteromonocyclic compoundorganochlorideo-glucuronidemonosacchariden-arylamidecarboxylic acid derivativeorganohalogen compoundpyran carboxylic acid1-o-glucuronidehaloacetanilidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundacetamidearyl chloridechlorobenzenealcoholp-haloacetanilidepyran carboxylic acid or derivativesacetanilidehydroxy acidcarboxamide grouparyl halideanilideoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compound |
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