| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:55 UTC |
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| Update Date | 2025-03-21 17:57:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00010656 |
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| Frequency | 440.1 |
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| Structure | |
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| Chemical Formula | C7H6O5S |
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| Molecular Mass | 201.9936 |
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| SMILES | O=Cc1ccccc1OS(=O)(=O)O |
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| InChI Key | RAGGRQGFXCZCAX-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 | benzaldehydesbenzoyl derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsphenoxy compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterbenzoylaldehydearomatic homomonocyclic compoundphenylsulfatebenzaldehydeorganic oxidearyl-aldehydeorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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