Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-20 23:50:54 UTC |
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Update Date | 2025-03-21 18:02:51 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00040691 |
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Frequency | 84.8 |
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Structure | |
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Chemical Formula | C14H15NO12S |
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Molecular Mass | 421.0315 |
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SMILES | O=C1Nc2ccccc2OC1OC1OC(C(=O)O)C(O)C(O)C1OS(=O)(=O)O |
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InChI Key | KGHIJUHXGRAZGL-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 heteropolycyclic compounds |
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Alternative Parents | 1,2-diolsacetalsalkyl sulfatesazacyclic compoundsbenzenoidsbenzomorpholinesbenzoxazinonesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidessulfuric acid monoesters |
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Substituents | sulfuric acid monoestercarbonyl grouplactamcarboxylic acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acidbenzomorpholine1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundalkyl sulfateorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativesazacyclebenzoxazinehydroxy acidcarboxamide groupoxazinaneoxacyclesecondary carboxylic acid amidemorpholinemonocarboxylic acid or derivativesbenzoxazinonepyransecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid ester |
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