| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:56 UTC |
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| Update Date | 2025-03-21 18:29:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00076382 |
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| Frequency | 38.6 |
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| Structure | |
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| Chemical Formula | C11H14O6S |
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| Molecular Mass | 274.0511 |
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| SMILES | O=C(O)C(CCCc1ccccc1)OS(=O)(=O)O |
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| InChI Key | CBACITBWZVRTQJ-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 | sulfated fatty acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl sulfatesbenzene and substituted derivativescarbocyclic fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidessulfuric acid monoesters |
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| Substituents | carbocyclic fatty acidmonocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acidorganic sulfuric acid or derivativescarboxylic acid derivativemedium-chain hydroxy acidaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfated fatty acidalkyl sulfatesulfate-esterhydrocarbon derivativemedium-chain fatty acidbenzenoidsulfuric acid esterorganooxygen compound |
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