| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:12 UTC |
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| Update Date | 2025-03-21 18:07:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00067396 |
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| Frequency | 45.1 |
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| Structure | |
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| Chemical Formula | C8H8O7S |
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| Molecular Mass | 247.9991 |
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| SMILES | Cc1cc(C(=O)O)cc(O)c1OS(=O)(=O)O |
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| InChI Key | KZEHFJPHZGFBRW-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 benzenoidsbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativeshydroxybenzoic acid derivativesmeta cresolsmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsphenoxy compoundssulfuric acid monoesterstoluenes |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativephenylsulfateorganic oxidebenzoic acidm-cresolbenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidhydroxybenzoic acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid estertolueneorganooxygen compound |
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