| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:02 UTC |
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| Update Date | 2025-03-21 17:57:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00010898 |
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| Frequency | 428.5 |
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| Structure | |
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| Chemical Formula | C9H13NO7S |
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| Molecular Mass | 279.0413 |
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| SMILES | CNCC(O)c1cc(O)c(OS(=O)(=O)O)c(O)c1 |
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| InChI Key | UGJCJZPTVLMMGS-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 benzenoidsaromatic alcoholsdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundsresorcinolssecondary alcoholssulfuric acid monoesters |
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| Substituents | aromatic alcoholmonocyclic benzene moietysulfuric acid monoester1-hydroxy-2-unsubstituted benzenoidresorcinolphenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholsecondary aliphatic amine1-hydroxy-4-unsubstituted benzenoidsecondary aminearomatic homomonocyclic compoundorganic oxygen compoundsecondary alcoholsulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compoundamine |
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