| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:41 UTC |
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| Update Date | 2025-03-25 00:53:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202792 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11NO7S |
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| Molecular Mass | 277.0256 |
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| SMILES | O=C(O)NCCc1ccc(O)c(OS(=O)(=O)O)c1 |
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| InChI Key | WMLXMAHJGGAWLF-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 | 1-hydroxy-2-unsubstituted benzenoidscarbamic acidscarbonyl compoundshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupcarbonic acid derivativecarbamic acid1-hydroxy-2-unsubstituted benzenoidaromatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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