| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:36 UTC |
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| Update Date | 2025-03-21 18:41:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133190 |
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| Frequency | 18.9 |
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| Structure | |
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| Chemical Formula | C12H14O7S |
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| Molecular Mass | 302.046 |
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| SMILES | O=C1CCC(Cc2ccc(OCOS(=O)(=O)O)cc2)O1 |
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| InChI Key | BQWHCZGRLSSWER-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 | phenol ethers |
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| Direct Parent | phenol ethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl sulfatescarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundssulfuric acid monoesterstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativesaromatic heteromonocyclic compoundtetrahydrofurancarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteralkyl sulfatesulfate-esterhydrocarbon derivativephenoxy compoundsulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
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