| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:01 UTC |
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| Update Date | 2025-03-21 18:39:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127067 |
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| Frequency | 20.1 |
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| Structure | |
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| Chemical Formula | C13H14O8S |
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| Molecular Mass | 330.0409 |
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| SMILES | COc1cc(C=CC=CC(=O)O)cc(OC)c1OS(=O)(=O)O |
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| InChI Key | NSFSPYYKIJNLNA-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 aryl ethersanisolescarbocyclic fatty acidscarbonyl compoundscarboxylic acidsdimethoxybenzeneshydrocarbon derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylsulfatessulfuric acid monoestersunsaturated fatty acids |
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| Substituents | carbocyclic fatty acidphenol ethermonocyclic benzene moietycarbonyl groupsulfuric acid monoesterethercarboxylic acidalkyl aryl ethercarboxylic acid derivativemedium-chain hydroxy aciddimethoxybenzenephenylsulfateunsaturated fatty acidorganic oxidemedium-chain fatty acidarylsulfateorganic sulfuric acid or derivativesmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsulfated fatty acidm-dimethoxybenzeneanisolesulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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