| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:45 UTC |
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| Update Date | 2025-03-25 00:54:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207547 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10O6S2 |
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| Molecular Mass | 265.9919 |
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| SMILES | O=C(CC(O)Cc1cccs1)OS(=O)(=O)O |
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| InChI Key | UDIJXUKMXKPONL-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 | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholssulfuric acid monoestersthiophenes |
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| Substituents | alcoholsulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativesaromatic heteromonocyclic compoundheteroaromatic compoundthiophenecarboxylic acid derivativebeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativesulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
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