| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:47 UTC |
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| Update Date | 2025-03-25 00:51:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184805 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H14N4O5S |
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| Molecular Mass | 350.0685 |
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| SMILES | N=C(NC(=O)c1ccc(N)cc1)Nc1ccc(OS(=O)(=O)O)cc1 |
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| InChI Key | VZNQAOHFRFOGAK-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 | amino acids and derivativesbenzoic acids and derivativesbenzoyl derivativescarboximidamidescarboxylic acids and derivativesguanidineshydrocarbon derivativesiminesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenoxy compoundsprimary aminessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteramino acid or derivativesguanidineiminebenzoylcarboxylic acid derivativephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acid or derivativescarboximidamidearomatic homomonocyclic compoundorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundphenoxy compoundsulfuric acid esteramineorganooxygen compound |
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