| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:22 UTC |
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| Update Date | 2025-03-21 18:06:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00065416 |
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| Frequency | 46.8 |
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| Structure | |
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| Chemical Formula | C8H12O5S |
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| Molecular Mass | 220.0405 |
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| SMILES | CCCC=CC=CC(=O)OS(=O)(=O)O |
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| InChI Key | HHICGZLBWJJYAF-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 | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupsulfuric acid monoesterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativecarboxylic acid derivativeorganooxygen compound |
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