| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:56 UTC |
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| Update Date | 2025-03-25 00:46:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155667 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10O7S |
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| Molecular Mass | 262.0147 |
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| SMILES | Cc1cccc(OCC(=O)O)c1OS(=O)(=O)O |
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| InChI Key | WZIHAVCUWVOAQD-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 compoundsphenylsulfatessulfuric acid monoesterstoluenes |
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| Substituents | phenol etherphenoxyacetatesulfuric acid monoestercarbonyl groupethercarboxylic acidorganic sulfuric acid or derivativesalkyl aryl ethercarboxylic acid derivativearomatic homomonocyclic compoundphenylsulfateorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterhydrocarbon derivativearylsulfatephenoxy compoundsulfuric acid estertolueneorganooxygen compound |
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