| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:31 UTC |
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| Update Date | 2025-03-25 00:50:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181969 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H14O7S |
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| Molecular Mass | 338.046 |
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| SMILES | O=C(O)C(Cc1ccccc1)Oc1ccccc1OS(=O)(=O)O |
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| InChI Key | FMMVYHIJTYYPJQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenoxyacetic acid derivatives |
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| Direct Parent | phenoxyacetic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl etherscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenol ethersphenoxy compoundsphenylpropanoic acidsphenylsulfatessulfuric acid monoesters |
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| Substituents | phenol etherphenoxyacetatesulfuric acid monoestercarbonyl groupethercarboxylic acidorganic sulfuric acid or derivatives3-phenylpropanoic-acidalkyl aryl ethercarboxylic acid derivativearomatic homomonocyclic compoundphenylsulfateorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterhydrocarbon derivativearylsulfatephenoxy compoundsulfuric acid esterorganooxygen compound |
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