| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:41 UTC |
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| Update Date | 2025-03-25 00:51:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186932 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14N2O11S |
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| Molecular Mass | 394.0318 |
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| SMILES | NS(=O)(=O)c1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)c([N+](=O)[O-])c1 |
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| InChI Key | MJJADSXWQAIPPG-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 | acetalsaminosulfonyl compoundsbenzenesulfonamidesbenzenesulfonyl compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspropargyl-type 1,3-dipolar organic compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarboxylic acido-glucuronidemonosaccharidepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidacetalc-nitro compoundorganonitrogen compoundoxaneorganoheterocyclic compoundnitrobenzenebenzenesulfonyl groupnitroaromatic compoundalcoholbenzenesulfonamideorganic 1,3-dipolar compoundhydrocarbon derivativephenoxy compoundorganic hyponitriteorganosulfonic acid or derivativescarbonyl grouparomatic heteromonocyclic compoundallyl-type 1,3-dipolar organic compoundorganosulfur compoundcarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganosulfonic acid amideorganic oxideorganopnictogen compoundorganic oxoazaniumpyran carboxylic acid or derivativesaminosulfonyl compoundhydroxy acidoxacyclemonocarboxylic acid or derivativessulfonylorganic sulfonic acid or derivativespyransecondary alcoholbenzenoidorganic nitrogen compound |
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