| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:54 UTC |
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| Update Date | 2025-03-25 00:51:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185081 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15NO6S |
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| Molecular Mass | 289.062 |
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| SMILES | NC(=O)CSC1CC(O)C=CC1(CC(=O)O)C(=O)O |
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| InChI Key | YJLMAPFPNWVHJT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | thia fatty acids |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessecondary alcoholssulfenyl compounds |
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| Substituents | primary carboxylic acid amidealcoholcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundcarboxamide groupcarboxylic acid derivativeorganic oxidethia fatty acidorganic oxygen compoundthioetherorganonitrogen compoundsecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativehydroxy fatty acidorganic nitrogen compoundorganooxygen compound |
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