| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:18 UTC |
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| Update Date | 2025-03-21 18:06:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00060521 |
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| Frequency | 51.7 |
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| Structure | |
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| Chemical Formula | C4H4O4S |
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| Molecular Mass | 147.983 |
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| SMILES | CC1=CC(=O)S(=O)(=O)O1 |
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| InChI Key | LQUWIABAPRSFJK-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 sulfonic acids and derivatives |
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| Subclass | sulfonic acid esters |
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| Direct Parent | sulfonic acid esters |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxathiolesthiolactones |
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| Substituents | carbonyl groupcarboxylic acid derivativesulfonic acid esteroxacycleorganic oxideorganic oxygen compound1,2-oxathiolealiphatic heteromonocyclic compoundhydrocarbon derivativethiolactoneorganoheterocyclic compoundorganooxygen compound |
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