| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:10 UTC |
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| Update Date | 2025-03-25 00:47:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162809 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H17NO12 |
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| Molecular Mass | 403.0751 |
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| SMILES | O=C(Cc1ccc(O)c([N+](=O)[O-])c1)OCOC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | XUIBXEBBKOYSLF-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 benzenoidsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesnitroaromatic compoundsnitrobenzenesnitrophenolsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespropargyl-type 1,3-dipolar organic compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundallyl-type 1,3-dipolar organic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidorganic nitro compoundpropargyl-type 1,3-dipolar organic compound1-o-glucuronidebeta-hydroxy acidorganic oxideacetalc-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumoxanenitrophenolorganoheterocyclic compoundnitrobenzenenitroaromatic compoundalcoholpyran carboxylic acid or derivativesorganic 1,3-dipolar compoundhydroxy acidoxacyclepyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic hyponitrite |
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