| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:58 UTC |
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| Update Date | 2025-03-21 18:28:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00074098 |
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| Frequency | 40.1 |
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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(OC2OC(C(=O)O)C(O)C(O)C2O)c(Cl)c1 |
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| InChI Key | KTBUILYDBPIJPV-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 derivativesm-haloacetanilidesmonocarboxylic acids and derivativesmonosaccharidesn-acetylarylaminesorganic oxidesorganochloridesorganopnictogen compoundsoxacyclic compoundsoxanesphenol 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 chloridechlorobenzenealcoholpyran carboxylic acid or derivativesacetanilidehydroxy acidcarboxamide grouparyl halideanilideoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compoundm-haloacetanilide |
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