| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:36 UTC |
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| Update Date | 2025-03-21 18:29:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00078021 |
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| Frequency | 37.6 |
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| Structure | |
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| Chemical Formula | C8H8O7S |
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| Molecular Mass | 247.9991 |
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| SMILES | O=Cc1c(COS(=O)(=O)O)ccc(O)c1O |
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| InChI Key | XYUYTRLNJUHCQJ-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl sulfatesbenzoyl derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundssulfuric acid monoestersvinylogous acids |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterorganic sulfuric acid or derivativesbenzoyl1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundvinylogous acidorganic oxidealkyl sulfatesulfate-esterphenolhydrocarbon derivativebenzenoidsulfuric acid esterhydroxybenzaldehyde |
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