| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:00 UTC |
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| Update Date | 2025-03-21 18:07:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00066912 |
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| Frequency | 45.5 |
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| Structure | |
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| Chemical Formula | C10H17NO7S |
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| Molecular Mass | 295.0726 |
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| SMILES | NC(CCSCC1OC(=O)C(O)C(O)C1O)C(=O)O |
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| InChI Key | XZDSEPIRJWHGPU-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 | gluconolactones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdelta valerolactonesdialkylthioethersdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanessecondary alcoholsshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty aciddelta valerolactonefatty acidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativelactoneorganic oxidegluconolactonealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidoxanedelta_valerolactoneorganoheterocyclic compoundalcoholsulfenyl compounddialkylthioetheroxacyclethia fatty acidthioethercarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound |
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