| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:58 UTC |
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| Update Date | 2025-03-25 01:01:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249316 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O7S |
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| Molecular Mass | 288.0304 |
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| SMILES | COc1cc(CC2COC2=O)ccc1OS(=O)(=O)O |
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| InChI Key | FSVQHDSMIQEKQW-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 heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesbeta propiolactonescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxetanesphenoxy compoundssulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl groupetheraromatic heteromonocyclic compoundalkyl aryl ethercarboxylic acid derivativelactonephenylsulfateorganic oxideorganoheterocyclic compoundmethoxybenzenebeta_propiolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esteroxetanesulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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