| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:23:04 UTC |
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| Update Date | 2025-03-25 01:02:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02254064 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14N2O6S |
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| Molecular Mass | 302.0573 |
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| SMILES | CC(N=C(N)Cc1ccc(OS(=O)(=O)O)cc1)C(=O)O |
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| InChI Key | WQVWKNORLRATEH-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 | alanine and derivativesalpha amino acidsamidinescarbonyl compoundscarboximidamidescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundspropargyl-type 1,3-dipolar organic compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acidalpha-amino acid or derivativesamidinecarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundphenylsulfateorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic 1,3-dipolar compoundcarboximidamidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundalanine or derivativessulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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