| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:56 UTC |
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| Update Date | 2025-03-25 00:53:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203372 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO8 |
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| Molecular Mass | 301.0798 |
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| SMILES | O=C(O)C1OC(Oc2ccc(NO)cc2)C(O)C(O)C1O |
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| InChI Key | DMEJGXWKNQNHBE-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 | 1-hydroxylamino, 2-unsubstituted benzenoidsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesn-organohydroxylaminesn-phenylhydroxylaminesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compound1-hydroxylamino, 2-unsubstituted benzenoidoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidn-organohydroxylamineoxacyclemonocarboxylic acid or derivativespyrann-phenylhydroxylaminesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compound |
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