| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:54 UTC |
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| Update Date | 2025-03-25 00:52:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02191915 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H30N2O18S2 |
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| Molecular Mass | 614.0935 |
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| SMILES | CC(=O)NC1C(O)CC(OC2C(COS(=O)O)OC(O)C(NS(=O)(=O)O)C2O)(C(=O)O)OC1C(O)C(O)CO |
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| InChI Key | GZCGWIMCZXXLFP-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 | c-glucuronides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetamidescarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativesketalsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidessulfuric acid monoamides |
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| Substituents | carbonyl groupcarboxylic acidmonosaccharidecarboxylic acid derivativepyran carboxylic acidorganic oxideacetalketalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneprimary alcoholorganoheterocyclic compoundacetamidec-glucuronidealcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativescarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyransulfuric acid monoamidesecondary alcoholhydrocarbon derivativeorganic nitrogen compound |
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