| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:00 UTC |
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| Update Date | 2025-03-21 18:34:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100500 |
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| Frequency | 27.2 |
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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 | O=S(=O)(O)Oc1ccc(CC(O)CO)cc1 |
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| InChI Key | MNAUUYKNADOWQU-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-diolshydrocarbon derivativesorganic oxidesphenoxy compoundsprimary alcoholssecondary alcoholssulfuric acid monoesters |
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| Substituents | alcoholmonocyclic benzene moietysulfuric acid monoesteraromatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterprimary alcoholorganooxygen compound1,2-diol |
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