| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:08 UTC |
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| Update Date | 2025-03-25 00:56:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220189 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H19NO7S |
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| Molecular Mass | 309.0882 |
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| SMILES | CSCC(O)C1OC(O)(C(=O)O)CC(O)C1NC(C)=O |
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| InChI Key | KNISKGCBAZCSAP-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 | acetamidesalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylthioethershemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidorganosulfur compoundcarboxylic acid derivativepyran carboxylic acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneorganoheterocyclic compoundacetamidec-glucuronidealcoholpyran carboxylic acid or derivativessulfenyl compounddialkylthioetherhydroxy acidcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesthioetherpyransecondary alcoholhydrocarbon derivativeorganic nitrogen compound |
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