| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:17 UTC |
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| Update Date | 2025-03-21 18:32:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00091455 |
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| Frequency | 30.7 |
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| Structure | |
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| Chemical Formula | C8H12O4S |
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| Molecular Mass | 204.0456 |
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| SMILES | CCCC=CC=CC(=O)S(=O)(=O)O |
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| InChI Key | GXVDGQMTKMJWLE-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 | organosulfonic acids and derivatives |
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| Direct Parent | acylsulfonic acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganic sulfonic acids and derivativessulfonylsthiolactones |
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| Substituents | acylsulfonic acidaliphatic acyclic compoundcarbonyl grouporganosulfur compoundcarboxylic acid derivativeorganic oxidesulfonylorganic oxygen compoundhydrocarbon derivativethiolactoneorganooxygen compound |
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