| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:47 UTC |
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| Update Date | 2025-03-21 18:01:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00035620 |
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| Frequency | 99.9 |
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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 | COc1cc(C(O)CC(=O)O)ccc1OS(=O)(=O)O |
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| InChI Key | GXICEUWKZZUUKL-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 | alkyl aryl ethersanisolesaromatic alcoholsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylsulfatessecondary alcoholssulfuric acid monoesters |
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| Substituents | aromatic alcoholphenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl groupethercarboxylic acid3-phenylpropanoic-acidalkyl aryl ethercarboxylic acid derivativephenylsulfatebeta-hydroxy acidorganic oxidearylsulfatealcoholorganic sulfuric acid or derivativeshydroxy acidmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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