| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:44 UTC |
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| Update Date | 2025-03-25 00:48:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166461 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16BrNO8 |
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| Molecular Mass | 405.0059 |
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| SMILES | CC(=O)Nc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)c(Br)c1 |
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| InChI Key | YNDMVRJPFPJULR-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 bromidesbeta hydroxy acids and derivativesbromobenzenescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesm-haloacetanilidesmonocarboxylic acids and derivativesmonosaccharidesn-acetylarylaminesorganic oxidesorganobromidesorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidn-acetylarylaminearomatic heteromonocyclic compoundo-glucuronidemonosacchariden-arylamidecarboxylic acid derivativeorganohalogen compoundpyran carboxylic acid1-o-glucuronidehaloacetanilidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundacetamidealcoholpyran carboxylic acid or derivativesacetanilidebromobenzenehydroxy acidcarboxamide grouparyl halideanilideoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyransecondary alcoholorganobromidehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compoundaryl bromidem-haloacetanilide |
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