| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:53 UTC |
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| Update Date | 2025-03-25 01:02:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253635 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H16F3NO9 |
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| Molecular Mass | 411.0777 |
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| SMILES | O=C(CO)Nc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)cc1C(F)(F)F |
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| InChI Key | BVUOQJGFSNICKN-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 | acetalsalkyl fluoridesanilidesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesn-arylamidesorganic oxidesorganofluoridesorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidestrifluoromethylbenzenes |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosacchariden-arylamidecarboxylic acid derivativeorganohalogen compoundpyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundalkyl halideoxanetrifluoromethylbenzeneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesalkyl fluorideorganofluoridehydroxy acidcarboxamide groupanilideoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compound |
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