| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:41 UTC |
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| Update Date | 2025-03-25 01:02:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253203 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H15NO10S |
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| Molecular Mass | 401.0417 |
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| SMILES | O=C(O)C1OC(Oc2ccc3nc(S(=O)O)cc(O)c3c2)C(O)C(O)C1O |
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| InChI Key | LLWLOXQSAWYJJW-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 | 2-halopyridinesacetalsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundsoxacyclic compoundsoxanesphenol etherspolyhalopyridinespyran carboxylic acidsquinolines and derivativessecondary alcoholssulfinic acids |
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| Substituents | phenol ethercarbonyl groupcarboxylic acidpolyhalopyridinesulfinic acid derivativeo-glucuronidemonosaccharideorganosulfur compoundcarboxylic acid derivativepyran carboxylic acidsulfinic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound2-halopyridineoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxypyridinehydroxy acidoxacyclemonocarboxylic acid or derivativespyridinepyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compound |
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