| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:44 UTC |
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| Update Date | 2025-03-21 17:57:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00005543 |
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| Frequency | 962.2 |
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| Structure | |
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| Chemical Formula | C12H14O6S |
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| Molecular Mass | 286.0511 |
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| SMILES | COS(=O)(=O)Oc1cccc(CC2CCC(=O)O2)c1 |
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| InChI Key | OZSOJVSTPIAOII-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | arylsulfates |
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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 diesterstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundtetrahydrofurancarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfuric acid diestercarboxylic acid esteralkyl sulfatehydrocarbon derivativearylsulfatebenzenoidphenoxy compoundsulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
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