| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:06 UTC |
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| Update Date | 2025-03-25 00:59:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240327 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H8O9S |
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| Molecular Mass | 303.9889 |
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| SMILES | O=C1OC(c2ccc(O)c(OS(=O)(=O)O)c2)C(O)C1=O |
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| InChI Key | HHTRPULKAFGXCB-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 heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidscarboxylic acid esterscyclic ketonesfuranonesgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsphenoxy compoundssecondary alcoholssulfuric acid monoesterstetrahydrofurans |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidecyclic ketonecarboxylic acid derivativeketonelactonephenylsulfatesaccharideorganic oxideorganoheterocyclic compoundalcoholtetrahydrofurangamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid ester3-furanoneorganooxygen compound |
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