| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:03 UTC |
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| Update Date | 2025-03-25 00:56:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219999 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12O7S |
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| Molecular Mass | 276.0304 |
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| SMILES | Cc1c(OS(=O)(=O)O)ccc(O)c1CCC(=O)O |
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| InChI Key | BXHYOFDXZOAFPG-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 | 1-hydroxy-2-unsubstituted benzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmeta cresolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylsulfatessulfuric acid monoesterstoluenes |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acidorganic sulfuric acid or derivativesm-cresol3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundphenylsulfateorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativearylsulfatebenzenoidphenoxy compoundsulfuric acid estertolueneorganooxygen compound |
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