| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:42 UTC |
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| Update Date | 2025-03-25 00:47:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164023 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12O4S |
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| Molecular Mass | 216.0456 |
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| SMILES | CC1=C(C(=O)O)CSC1CCC(=O)O |
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| InChI Key | ABDBOLSVZLWIEK-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 derivativesdihydrothiophenesfatty acylshydrocarbon derivativesorganic oxides |
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| Substituents | carbonyl groupcarboxylic aciddialkylthioether2,5-dihydrothiophenecarboxylic acid derivativeorganic oxidethia fatty acidorganic oxygen compoundthioetheraliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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