| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:34 UTC |
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| Update Date | 2025-03-25 00:50:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182089 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O7S |
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| Molecular Mass | 288.0304 |
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| SMILES | O=C(O)C=CC(O)Cc1ccc(OS(=O)(=O)O)cc1 |
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| InChI Key | RDFYTMUNHSWKKH-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 | carbocyclic fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylsulfatessecondary alcoholssulfuric acid monoestersunsaturated fatty acids |
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| Substituents | carbocyclic fatty acidmonocyclic benzene moietycarbonyl groupsulfuric acid monoestercarboxylic acidcarboxylic acid derivativemedium-chain hydroxy acidphenylsulfateunsaturated fatty acidorganic oxidemedium-chain fatty acidhydroxy fatty acidarylsulfatealcoholorganic sulfuric acid or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsulfated fatty acidsecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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