| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:16 UTC |
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| Update Date | 2025-03-25 00:53:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199569 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12O6S |
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| Molecular Mass | 248.0355 |
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| SMILES | Cc1cccc(O)c1OS(=O)(=O)OCCO |
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| InChI Key | XCVRZELCFKLSNA-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 | arylsulfates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalcohols and polyolsalkyl sulfateshydrocarbon derivativesmeta cresolsorganic oxidesphenoxy compoundssulfuric acid diesterstoluenes |
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| Substituents | alcoholmonocyclic benzene moietym-cresol1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundsulfuric acid diesteralkyl sulfatephenolhydrocarbon derivativearylsulfatebenzenoidphenoxy compoundsulfuric acid estertolueneorganooxygen compound |
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