| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:41 UTC |
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| Update Date | 2025-03-21 18:05:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00059059 |
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| Frequency | 53.3 |
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| Structure | |
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| Chemical Formula | C9H16O7S |
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| Molecular Mass | 268.0617 |
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| SMILES | O=C(O)CCCCCCCC(=O)OS(=O)(=O)O |
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| InChI Key | PNDQQWVOQMUUGG-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 | medium-chain fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessulfuric acid monoesters |
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| Substituents | aliphatic acyclic compoundsulfuric acid monoestercarbonyl groupcarboxylic acidorganic sulfuric acid or derivativescarboxylic acid derivativeorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativemedium-chain fatty acidsulfuric acid esterorganooxygen compound |
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