| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:10 UTC |
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| Update Date | 2025-03-25 00:45:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149178 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12O4S2 |
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| Molecular Mass | 236.0177 |
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| SMILES | O=C(O)CCC1SCSCC1C(=O)O |
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| InChI Key | FBKRKVMMCRKDFJ-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 acidsdialkylthioethersdicarboxylic acids and derivativesdithianesdithioacetalsfatty acylshydrocarbon derivativesorganic oxides |
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| Substituents | carbonyl groupcarboxylic acid1,3-dithianedialkylthioethercarboxylic acid derivativeorganic oxidethia fatty acidorganic oxygen compoundthioetheraliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativethioacetalorganoheterocyclic compoundorganooxygen compound |
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