Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:21:05 UTC |
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Update Date | 2025-03-21 18:36:54 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00112959 |
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Frequency | 23.5 |
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Structure | |
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Chemical Formula | C10H12O6S |
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Molecular Mass | 260.0355 |
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SMILES | Cc1cc(CCC(=O)O)ccc1OS(=O)(=O)O |
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InChI Key | IGGHYZJQVYOGJS-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Kingdom | organic compounds |
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Superclass | phenylpropanoids and polyketides |
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Class | phenylpropanoic acids |
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Subclass | phenylpropanoic acids |
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Direct Parent | phenylpropanoic acids |
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Geometric Descriptor | aromatic homomonocyclic compounds |
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Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylsulfatessulfuric acid monoesterstoluenes |
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Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acidorganic sulfuric acid or derivatives3-phenylpropanoic-acidcarboxylic acid derivativearomatic homomonocyclic compoundphenylsulfateorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterhydrocarbon derivativearylsulfatebenzenoidphenoxy compoundsulfuric acid estertolueneorganooxygen compound |
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