| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:27 UTC |
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| Update Date | 2025-03-25 00:52:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02193123 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H12O5S |
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| Molecular Mass | 208.0405 |
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| SMILES | CCCC=CC(=O)COS(=O)(=O)O |
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| InChI Key | QEHZMOPLHSPCTO-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 | acryloyl compoundsalkyl sulfatesenoneshydrocarbon derivativesketonesorganic oxides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupsulfuric acid monoesteralpha,beta-unsaturated ketoneketoneorganic oxideorganic oxygen compoundalkyl sulfatesulfate-esterhydrocarbon derivativeacryloyl-grouporganooxygen compoundenone |
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