| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:14 UTC |
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| Update Date | 2025-03-25 00:47:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162979 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12O6S2 |
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| Molecular Mass | 280.0075 |
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| SMILES | O=C(CCC(O)Cc1ccsc1)OS(=O)(=O)O |
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| InChI Key | JFJCNWXIPAKQPD-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 | organic sulfuric acids and derivatives |
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| Subclass | sulfuric acid esters |
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| Direct Parent | sulfuric acid monoesters |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholsthiophenes |
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| Substituents | alcoholsulfuric acid monoestercarbonyl grouparomatic heteromonocyclic compoundheteroaromatic compoundthiophenecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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