| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:17 UTC |
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| Update Date | 2025-03-21 18:00:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00029622 |
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| Frequency | 126.0 |
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| Structure | |
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| Chemical Formula | C10H10O7S |
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| Molecular Mass | 274.0147 |
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| SMILES | COS(=O)(=O)Oc1ccc(C=CC(=O)O)cc1O |
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| InChI Key | RTMYFQAAPWSSQB-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 | cinnamic acids and derivatives |
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| Subclass | hydroxycinnamic acids and derivatives |
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| Direct Parent | hydroxycinnamic 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 derivatives1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativehydroxycinnamic acidaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfuric acid diesteralkyl sulfatephenolhydrocarbon derivativearylsulfatebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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