| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:37 UTC |
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| Update Date | 2025-03-25 00:51:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186764 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H7NO7S |
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| Molecular Mass | 260.9943 |
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| SMILES | Nc1ccc(OS(=O)(=O)O)cc1C(=O)C(=O)O |
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| InChI Key | RAZBJBIGIOOTKE-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 | alpha-keto acids and derivativesamino acidsaryl ketonesbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundsprimary aminessulfuric acid monoestersvinylogous amides |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acidamino acid or derivativesamino acidbenzoylcarboxylic acid derivativeketonephenylsulfateorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundvinylogous amidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidsulfate-esterhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundphenoxy compoundsulfuric acid esteramineorganooxygen compoundaryl ketone |
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