| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:03 UTC |
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| Update Date | 2025-03-25 00:56:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219969 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10N2O5S |
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| Molecular Mass | 246.031 |
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| SMILES | Cc1cc(OS(=O)(=O)O)ccc1NC(N)=O |
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| InChI Key | FWFGOXWKZGNOJJ-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 | carbonyl compoundshydrocarbon derivativesn-phenylureasorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssulfuric acid monoesterstoluenes |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupcarbonic acid derivativearomatic homomonocyclic compoundphenylsulfaten-phenylureaorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid estertolueneorganooxygen compound |
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