| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:33 UTC |
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| Update Date | 2025-03-25 00:52:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02193342 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H16O5S |
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| Molecular Mass | 236.0718 |
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| SMILES | CCCCCC=CC(=O)C(O)S(=O)(=O)O |
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| InChI Key | CHUYEQOCZWJWER-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 | organosulfonic acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsalpha-hydroxy ketonesenoneshydrocarbon derivativesorganic oxidessulfonyls |
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| Substituents | aliphatic acyclic compoundcarbonyl grouporganosulfonic acidalpha,beta-unsaturated ketoneorganosulfur compoundalpha-hydroxy ketoneketoneorganic oxidesulfonylorganic oxygen compoundhydrocarbon derivativeacryloyl-grouporganooxygen compoundenone |
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