| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:35 UTC |
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| Update Date | 2025-03-25 00:54:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204874 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H6O8S |
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| Molecular Mass | 285.9783 |
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| SMILES | O=c1c(O)c(-c2ccc(OS(=O)(=O)O)cc2O)c1=O |
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| InChI Key | KEDMTVAMUJPCSC-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidscyclic ketoneshydrocarbon derivativesorganic oxidesorganooxygen compoundsphenoxy compoundssulfuric acid monoestersvinylogous acids |
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| Substituents | monocyclic benzene moietysulfuric acid monoester1-hydroxy-2-unsubstituted benzenoidcyclic ketone1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundphenylsulfatevinylogous acidorganic oxideorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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