| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:01 UTC |
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| Update Date | 2025-03-21 18:35:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107944 |
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| Frequency | 24.9 |
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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 | COS(=O)(=O)Oc1ccc(CCC(=O)O)cc1O |
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| InChI Key | DZWIXCNCOBUWNV-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl sulfatesarylsulfatescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssulfuric acid diesters |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidorganic sulfuric acid or derivatives3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfuric acid diesteralkyl sulfatephenolhydrocarbon derivativearylsulfatebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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