| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:48 UTC |
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| Update Date | 2025-03-21 17:58:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00015001 |
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| Frequency | 291.7 |
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| Structure | |
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| Chemical Formula | C10H12O4S |
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| Molecular Mass | 228.0456 |
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| SMILES | C=CCc1ccc(OS(=O)(=O)OC)cc1 |
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| InChI Key | RIOWHVZQEYFSLV-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 homomonocyclic compounds |
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| Alternative Parents | alkyl sulfateshydrocarbon derivativesorganic oxidesorganooxygen compoundsphenoxy compoundssulfuric acid diesters |
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| Substituents | monocyclic benzene moietyaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundsulfuric acid diesteralkyl sulfatehydrocarbon derivativearylsulfatebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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