| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:27 UTC |
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| Update Date | 2025-03-25 00:48:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02165786 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20N2O8 |
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| Molecular Mass | 380.122 |
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| SMILES | CC1=NC(Cc2cccc(OC3OC(C(=O)O)C(O)C(O)C3O)c2)NC1=O |
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| InChI Key | OSLMBVATOWHSQR-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 | acetalsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesimidazolinonesketimineslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundspropargyl-type 1,3-dipolar organic compoundspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | phenol etherketiminemonocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundimineo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acidpropargyl-type 1,3-dipolar organic compound1-o-glucuronidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundimidazolinoneoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacycleorganic 1,3-dipolar compoundhydroxy acidcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesimidazolinepyransecondary alcohol3-imidazolinehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compound |
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