| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:38 UTC |
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| Update Date | 2025-03-21 18:06:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00061319 |
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| Frequency | 50.8 |
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| Structure | |
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| Chemical Formula | C10H14O7S |
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| Molecular Mass | 278.046 |
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| SMILES | COc1cc(CC(O)CO)ccc1OS(=O)(=O)O |
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| InChI Key | LSXORSPSTFKTLF-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 | 1,2-diolsalkyl aryl ethersanisoleshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compoundsprimary alcoholssecondary alcoholssulfuric acid monoesters |
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| Substituents | alcoholphenol ethermonocyclic benzene moietysulfuric acid monoesteretheralkyl aryl ethermethoxybenzenearomatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundanisolesecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterprimary alcoholorganooxygen compound1,2-diol |
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