| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:23 UTC |
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| Update Date | 2025-03-21 18:36:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00108837 |
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| Frequency | 24.6 |
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| Structure | |
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| Chemical Formula | C8H6O5S |
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| Molecular Mass | 213.9936 |
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| SMILES | O=C=Cc1ccc(OS(=O)(=O)O)cc1 |
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| InChI Key | PJTGOYKIAZNQIJ-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 | phenylsulfates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesketenesorganic oxidesphenoxy compoundssulfuric acid monoestersynolates |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteraromatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundynolatesulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterketeneorganooxygen compound |
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