Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:37:57 UTC |
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Update Date | 2025-03-25 00:45:44 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02151008 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C10H12O6S |
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Molecular Mass | 260.0355 |
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SMILES | C=Cc1ccc(OS(=O)(=O)O)c(OC)c1OC |
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InChI Key | MCEPMZMGXWEWCQ-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Kingdom | organic compounds |
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Superclass | organic acids and derivatives |
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Class | organic sulfuric acids and derivatives |
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Subclass | arylsulfates |
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Direct Parent | phenylsulfates |
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Geometric Descriptor | aromatic homomonocyclic compounds |
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Alternative Parents | alkyl aryl ethersanisolesdimethoxybenzeneshydrocarbon derivativesorganic oxidesphenoxy compoundssulfuric acid monoesters |
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Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoesteretheralkyl aryl ethermethoxybenzenearomatic homomonocyclic compounddimethoxybenzenephenylsulfateorganic oxideorganic oxygen compoundanisoleo-dimethoxybenzenesulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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