| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:21 UTC |
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| Update Date | 2025-03-25 01:01:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02247930 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H23NO5S |
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| Molecular Mass | 305.1297 |
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| SMILES | CCC1C(C)C(SCC(N)C(=O)O)OC(C(=O)O)C1C |
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| InChI Key | SDJSJKOPEHJSOE-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 | s-glucuronides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesmonothioacetalsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativepyran carboxylic acidmonothioacetalorganic oxidealiphatic heteromonocyclic compound1-s-glucuronideorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundpyran carboxylic acid or derivativessulfenyl compoundoxacyclepyrancysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound |
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