| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:40 UTC |
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| Update Date | 2025-03-25 00:56:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219080 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12O8S |
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| Molecular Mass | 292.0253 |
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| SMILES | COS(=O)(=O)Oc1cc(CC(O)C(=O)O)ccc1O |
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| InChI Key | IUTOUYYIJLPJKD-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 benzenoidsalkyl sulfatesalpha hydroxy acids and derivativesarylsulfatescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssecondary alcoholssulfuric acid diesters |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxidesulfuric acid diesteralkyl sulfatearylsulfatealcoholorganic sulfuric acid or derivativeshydroxy acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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