| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:52 UTC |
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| Update Date | 2025-03-25 01:01:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249092 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18O7S |
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| Molecular Mass | 318.0773 |
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| SMILES | COc1ccc(CCC(O)CCC(=O)OS(=O)(=O)O)cc1 |
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| InChI Key | VPEYFBSJUMIUMX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl etherscarbonyl compoundshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssecondary alcoholssulfuric acid monoesters |
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| Substituents | alcoholmonocyclic benzene moietysulfuric acid monoestercarbonyl groupetherorganic sulfuric acid or derivativesalkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
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