| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:04 UTC |
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| Update Date | 2025-03-25 00:47:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162586 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13NO9S |
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| Molecular Mass | 347.0311 |
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| SMILES | O=C(O)CC(Cc1ccc(OS(=O)(=O)O)cc1)=NC(O)C(=O)O |
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| InChI Key | GHMWQPAUWHQCOU-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 | alkanolaminesalpha amino acidsalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundspropargyl-type 1,3-dipolar organic compoundssecondary ketiminessulfuric acid monoesters |
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| Substituents | ketiminemonocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acidiminealpha-hydroxy acidalpha-amino acid or derivativescarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundphenylsulfatesecondary ketimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkanolamineorganic 1,3-dipolar compoundhydroxy acidaromatic homomonocyclic compoundorganic oxygen compounddicarboxylic acid or derivativessulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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