| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:43 UTC |
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| Update Date | 2025-03-25 00:53:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200650 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12O8S |
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| Molecular Mass | 280.0253 |
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| SMILES | COS(=O)(=O)Oc1cc(C(O)CO)cc(O)c1O |
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| InChI Key | GQVPYNGIXQYUKM-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 | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl sulfatesaromatic alcoholshydrocarbon derivativesorganic oxidesphenoxy compoundsprimary alcoholssecondary alcoholssulfuric acid diesters |
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| Substituents | aromatic alcoholalcoholmonocyclic benzene moiety1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundsulfuric acid diesteralkyl sulfatesecondary alcoholphenolhydrocarbon derivativearylsulfatebenzenoidphenoxy compoundsulfuric acid esterprimary alcoholorganooxygen compound1,2-diol |
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