| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:01 UTC |
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| Update Date | 2025-03-25 00:50:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180863 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12O11S |
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| Molecular Mass | 316.01 |
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| SMILES | O=C(O)CCC(O)(CC(=O)OCOS(=O)(=O)O)C(=O)O |
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| InChI Key | HCRJIFQVWDFEHX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl sulfatesalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsfatty acid estershydrocarbon derivativesorganic oxidessulfuric acid monoesterstertiary alcohols |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundsulfuric acid monoestercarbonyl groupcarboxylic acidorganic sulfuric acid or derivativesalpha-hydroxy acidtricarboxylic acid or derivativeshydroxy acidfatty acid estertertiary alcoholorganic oxideorganic oxygen compoundcarboxylic acid esteralkyl sulfatesulfate-esterhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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