| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:26 UTC |
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| Update Date | 2025-03-25 00:47:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163422 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10O8S |
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| Molecular Mass | 290.0096 |
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| SMILES | O=C(O)C(=O)CC(O)c1ccccc1OS(=O)(=O)O |
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| InChI Key | DIOUFVVRLNHSRL-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-hydroxy ketonesalpha-keto acids and derivativesaromatic alcoholsbeta-hydroxy ketonescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssecondary alcoholssulfuric acid monoesters |
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| Substituents | aromatic alcoholbeta-hydroxy ketonemonocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acidalpha-hydroxy ketonecarboxylic acid derivativeketonephenylsulfateorganic oxidealpha-keto acidalcoholaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidsecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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