| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:29 UTC |
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| Update Date | 2025-03-25 00:45:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149931 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10O7S |
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| Molecular Mass | 262.0147 |
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| SMILES | Cc1cc(O)c(COS(=O)(=O)O)c(C=O)c1O |
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| InChI Key | CWAQLZFTXFAMCM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | hydroxybenzaldehydes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl sulfatesbenzoyl derivativeshydrocarbon derivativeshydroquinonesmeta cresolsorganic oxidesorganooxygen compoundsortho cresolssulfuric acid monoesterstoluenesvinylogous acids |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterbenzoyl1-hydroxy-2-unsubstituted benzenoidorganic oxidealkyl sulfateo-cresolorganic sulfuric acid or derivativesm-cresolhydroquinonearomatic homomonocyclic compoundvinylogous acidsulfate-esterphenolhydrocarbon derivativebenzenoidsulfuric acid esterhydroxybenzaldehydetoluene |
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