| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:29 UTC |
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| Update Date | 2025-03-25 00:50:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181913 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15NO9 |
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| Molecular Mass | 329.0747 |
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| SMILES | O=C(Nc1cccc(O)c1)OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | NOAYVWWZVJOKLU-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbeta hydroxy acids and derivativescarbamate esterscarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenylcarbamic acid esterspyran carboxylic acidssecondary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholcarbonic acid derivativepyran carboxylic acid or derivativescarbamic acid esterhydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholphenolhydrocarbon derivativebenzenoidphenylcarbamic acid esterorganic nitrogen compound |
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