| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:31 UTC |
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| Update Date | 2025-03-25 00:48:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168185 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16O6S |
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| Molecular Mass | 288.0668 |
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| SMILES | CC(CC(=O)OCOS(=O)(=O)O)Cc1ccccc1 |
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| InChI Key | CQCYRTWHIADXPW-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 | benzene and substituted derivatives |
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| Subclass | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl sulfatescarbonyl compoundscarboxylic acid estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfuric acid monoesters |
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| Substituents | fatty acylsulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativescarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundfatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteralkyl sulfatesulfate-esterhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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