| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:42 UTC |
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| Update Date | 2025-03-25 00:52:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02193695 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13NO6S |
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| Molecular Mass | 263.0464 |
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| SMILES | CN(C)Cc1cc(O)c(OS(=O)(=O)O)c(O)c1 |
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| InChI Key | NKWNXKVUXWCKLK-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsaralkylaminesbenzylamineshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenoxy compoundsphenylmethylaminesresorcinolssulfuric acid monoesterstrialkylamines |
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| Substituents | monocyclic benzene moietysulfuric acid monoester1-hydroxy-2-unsubstituted benzenoidaralkylamineresorcinolphenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundtertiary aminetertiary aliphatic amine1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundphenylmethylamineorganic oxygen compoundbenzylaminesulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esteramineorganooxygen compound |
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