| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:14 UTC |
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| Update Date | 2025-03-21 18:39:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127621 |
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| Frequency | 20.0 |
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| Structure | |
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| Chemical Formula | C7H5NO4S |
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| Molecular Mass | 198.9939 |
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| SMILES | N#Cc1ccccc1OS(=O)(=O)O |
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| InChI Key | UNOZTWGPEGAYBV-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 | benzonitrileshydrocarbon derivativesnitrilesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenoxy compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesternitrilebenzonitrilearomatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid estercarbonitrileorganooxygen compound |
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