| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:18 UTC |
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| Update Date | 2025-03-25 00:51:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186020 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H18N2O10S |
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| Molecular Mass | 430.0682 |
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| SMILES | O=C(Cc1c[nH]c2ccccc12)NC1OC(C(=O)O)C(O)C(O)C1OS(=O)(=O)O |
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| InChI Key | CPPLDJDJBUONEW-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 | n-glucuronides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl sulfatesazacyclic compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidspyrrolessecondary alcoholssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidindolemonosaccharidecarboxylic acid derivativepyran carboxylic acidn-glucuronidebeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundalkyl sulfateorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativesazacycleheteroaromatic compoundindole or derivativeshydroxy acidcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyranpyrrolesecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid ester |
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