| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:29 UTC |
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| Update Date | 2025-03-25 00:45:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149933 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H9NO5S |
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| Molecular Mass | 219.0201 |
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| SMILES | Cc1cc(O)c(N)cc1OS(=O)(=O)O |
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| InChI Key | TZMPKRIPYNGBOB-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 benzenoidshydrocarbon derivativesmeta cresolsorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenoxy compoundsprimary aminessulfuric acid monoesterstoluenes |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterm-cresol1-hydroxy-2-unsubstituted benzenoidaromatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundphenoxy compoundsulfuric acid estertolueneamineorganooxygen compound |
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