| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:20 UTC |
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| Update Date | 2025-03-21 18:01:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00032115 |
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| Frequency | 114.0 |
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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 | O=C(O)C(O)Cc1cccc(OS(=O)(=O)O)c1 |
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| InChI Key | ZFRBQYNONDMOSW-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 | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylsulfatessecondary alcoholssulfuric acid monoesters |
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| Substituents | alcoholmonocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acidorganic sulfuric acid or derivatives3-phenylpropanoic-acidalpha-hydroxy acidhydroxy acidcarboxylic acid derivativearomatic homomonocyclic compoundphenylsulfateorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativearylsulfatebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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