| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:01 UTC |
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| Update Date | 2025-03-21 18:34:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100526 |
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| Frequency | 27.2 |
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| Structure | |
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| Chemical Formula | C14H15NO11S |
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| Molecular Mass | 405.0366 |
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| SMILES | O=C(O)C1OC(Oc2cc3[nH]ccc3cc2OS(=O)(=O)O)C(O)C(O)C1O |
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| InChI Key | ZKHJXQYBALSXEL-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 | acetalsarylsulfatesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol etherspyran carboxylic acidspyrrolessecondary alcoholssulfuric acid monoesters |
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| Substituents | phenol ethersulfuric acid monoestercarbonyl groupcarboxylic acidindoleo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfateoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativesazacycleheteroaromatic compoundindole or derivativeshydroxy acidoxacyclemonocarboxylic acid or derivativespyranpyrrolesecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid ester |
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