| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:29 UTC |
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| Update Date | 2025-03-21 18:01:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00032501 |
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| Frequency | 112.3 |
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| Structure | |
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| Chemical Formula | C10H15NO6S |
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| Molecular Mass | 277.062 |
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| SMILES | CNCC(O)c1ccc(OS(=O)(=O)OC)c(O)c1 |
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| InChI Key | WNLUMDVSZYBUEF-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 | arylsulfates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl sulfatesaromatic alcoholsdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary alcoholssulfuric acid diesters |
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| Substituents | aromatic alcoholmonocyclic benzene moiety1-hydroxy-2-unsubstituted benzenoidorganic oxidesulfuric acid diesteralkyl sulfateorganonitrogen compoundorganopnictogen compoundarylsulfatealcoholsecondary aliphatic amine1-hydroxy-4-unsubstituted benzenoidsecondary aminearomatic homomonocyclic compoundorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compoundamine |
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