| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:34:22 UTC |
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| Update Date | 2025-03-21 17:56:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00002311 |
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| Frequency | 2636.2 |
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| Structure | |
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| Chemical Formula | C9H13NO5S |
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| Molecular Mass | 247.0514 |
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| SMILES | CNCC(O)c1ccc(OS(=O)(=O)O)cc1 |
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| InChI Key | WWWBJVCJFXQHBA-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 | aromatic alcoholsdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary alcoholssulfuric acid monoesters |
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| Substituents | aromatic alcoholalcoholsecondary aliphatic aminemonocyclic benzene moietysulfuric acid monoestersecondary aminearomatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compoundamine |
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