| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:50 UTC |
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| Update Date | 2025-03-25 00:57:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226272 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H25NO19S2 |
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| Molecular Mass | 587.0462 |
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| SMILES | CC(NC1C(O)OC(COS(=O)(=O)O)C(OC2OC(C(=O)O)C(O)C(O)C2OS(=O)(=O)O)C1O)C(=O)O |
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| InChI Key | JJNVVZDTWAQRFZ-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalanine and derivativesalkyl sulfatesalpha amino acidsamino acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesglucuronic acid derivativeshemiacetalshydrocarbon derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidamino acid or derivativesamino acido-glucuronidemonosaccharidealpha-amino acid or derivativescarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalalkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetaloxaneorganoheterocyclic compoundalcoholsecondary aliphatic aminepyran carboxylic acid or derivativesorganic sulfuric acid or derivativeshydroxy acidsecondary amineoxacyclepyransecondary alcoholdicarboxylic acid or derivativesalanine or derivativessulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esteramine |
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