| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:26 UTC |
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| Update Date | 2025-03-21 18:32:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00091806 |
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| Frequency | 30.5 |
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| Structure | |
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| Chemical Formula | C8H12O2S |
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| Molecular Mass | 172.0558 |
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| SMILES | CC1=C(CCC(=O)O)SCC1 |
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| InChI Key | XIAVIJUFRHXJMD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | thia fatty acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdihydrothiophenesfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesthioenol ethers |
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| Substituents | carbonyl groupcarboxylic acid2,3-dihydrothiophenecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesthia fatty acidthioenoletherorganic oxygen compoundaliphatic heteromonocyclic compoundhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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