| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:55 UTC |
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| Update Date | 2025-03-25 00:51:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185107 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16N2O10 |
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| Molecular Mass | 372.0805 |
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| SMILES | NC(=O)Cc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)c([N+](=O)[O-])c1 |
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| InChI Key | DKTJZLLDFWGEIK-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 | acetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundsphenylacetamidesprimary carboxylic acid amidespropargyl-type 1,3-dipolar organic compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | primary carboxylic acid amidephenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundallyl-type 1,3-dipolar organic compoundo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acidorganic nitro compoundpropargyl-type 1,3-dipolar organic compound1-o-glucuronidebeta-hydroxy acidorganic oxideacetalc-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumoxanephenylacetamideorganoheterocyclic compoundnitrobenzenenitroaromatic compoundalcoholpyran carboxylic acid or derivativesorganic 1,3-dipolar compoundhydroxy acidcarboxamide groupoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganic hyponitrite |
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