| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:40 UTC |
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| Update Date | 2025-03-21 18:35:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107109 |
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| Frequency | 25.1 |
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| Structure | |
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| Chemical Formula | C7H6O6S |
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| Molecular Mass | 217.9885 |
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| SMILES | O=Cc1ccc(OS(=O)(=O)O)cc1O |
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| InChI Key | KCHGTJPWAGYFGT-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 benzenoidsbenzoyl derivativeshydrocarbon derivativeshydroxybenzaldehydesorganic oxidesorganooxygen compoundsphenoxy compoundssulfuric acid monoestersvinylogous acids |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterbenzoyl1-hydroxy-2-unsubstituted benzenoidaldehyde1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundphenylsulfatevinylogous acidbenzaldehydeorganic oxidearyl-aldehydeorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterhydroxybenzaldehydeorganooxygen compound |
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