| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:46 UTC |
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| Update Date | 2025-03-25 00:47:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161893 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H17NO14S |
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| Molecular Mass | 467.037 |
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| SMILES | O=C(O)C1OC(OC2Oc3ccccc3N(OS(=O)(=O)O)C2C(=O)O)C(O)C(O)C1O |
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| InChI Key | HMHJBWLPINRASQ-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 | acetalsalpha amino acidsazacyclic compoundsbenzenoidsbenzomorpholinesbenzoxazinesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesorganic sulfuric acids and derivativesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acido-glucuronidemonosaccharidealpha-amino acid or derivativescarboxylic acid derivativepyran carboxylic acidbenzomorpholine1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativesazacyclebenzoxazinehydroxy acidoxazinaneoxacyclemorpholinepyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compound |
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