| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:45 UTC |
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| Update Date | 2025-03-21 18:34:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099873 |
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| Frequency | 27.5 |
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| Structure | |
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| Chemical Formula | C6H8O3S |
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| Molecular Mass | 160.0194 |
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| SMILES | C=CC(=O)CSCC(=O)O |
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| InChI Key | KTECYZRZPSDYRJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | acryloyl compounds |
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| Direct Parent | acryloyl compounds |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carboxylic acidsdialkylthioethersenoneshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetheralpha,beta-unsaturated ketoneorganosulfur compoundcarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativesthioetherhydrocarbon derivativeacryloyl-groupenone |
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