| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:33 UTC |
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| Update Date | 2025-03-21 18:37:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00116519 |
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| Frequency | 22.5 |
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| Structure | |
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| Chemical Formula | C16H18N2O9 |
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| Molecular Mass | 382.1012 |
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| SMILES | O=C1NC(=O)C(Cc2cccc(OC3OC(C(=O)O)C(O)C(O)C3O)c2)N1 |
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| InChI Key | OXQRJDMMVHWHDP-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 | acetalsalpha amino acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboximidesglucuronic acid derivativeshydantoinshydrocarbon derivativesimidazolidinonesmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | imidazolidinephenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidealpha-amino acid or derivativescarboxylic acid derivativepyran carboxylic acid1-o-glucuronideimidazolidinonebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundalpha-amino acidorganopnictogen compounddicarboximideoxaneorganoheterocyclic compoundalcoholcarbonic acid derivativepyran carboxylic acid or derivativesazacyclehydroxy acidoxacyclemonocarboxylic acid or derivativeshydantoinpyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compound |
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