| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:02 UTC |
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| Update Date | 2025-03-21 18:03:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00045824 |
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| Frequency | 73.3 |
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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 | CNCCc1ccc(O)c(OS(=O)(=O)O)c1 |
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| InChI Key | PSPNNLYOAMJETR-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 benzenoidsdialkylamineshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenoxy compoundssulfuric acid monoesters |
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| Substituents | secondary aliphatic aminemonocyclic benzene moietysulfuric acid monoester1-hydroxy-2-unsubstituted benzenoidsecondary aminearomatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compoundamine |
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