| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:04 UTC |
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| Update Date | 2025-03-25 00:46:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153663 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O8S |
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| Molecular Mass | 316.0253 |
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| SMILES | COc1ccc(CC2OC(=O)CC2=O)cc1OS(=O)(=O)O |
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| InChI Key | DZOHQIIVAJMYHD-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 ethersanisolescarboxylic acid esterscyclic ketonesfuranonesgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundssulfuric acid monoesterstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl groupetheraromatic heteromonocyclic compoundcyclic ketonealkyl aryl ethercarboxylic acid derivativeketonelactonephenylsulfateorganic oxideorganoheterocyclic compoundtetrahydrofuranmethoxybenzenegamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid estersulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid ester3-furanoneorganooxygen compound |
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