| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:11 UTC |
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| Update Date | 2025-03-25 00:52:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197018 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20O4S |
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| Molecular Mass | 272.1082 |
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| SMILES | CCC1C(C=CC(=O)O)CSC1CCCC(=O)O |
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| InChI Key | FYYHFLNDYJLRGL-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 | heterocyclic fatty acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesthiolanesunsaturated fatty acids |
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| Substituents | thiolanecarbonyl groupcarboxylic acidheterocyclic fatty aciddialkylthioethercarboxylic acid derivativeunsaturated fatty acidorganic oxideorganic oxygen compoundthioetheraliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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