| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:27 UTC |
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| Update Date | 2025-03-25 00:56:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220930 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O7S |
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| Molecular Mass | 288.0304 |
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| SMILES | O=C1CCCC(c2ccc(OS(=O)(=O)O)c(O)c2)O1 |
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| InChI Key | JTKGYOWOGXSIFZ-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 benzenoids1-hydroxy-4-unsubstituted benzenoidscarbonyl compoundscarboxylic acid estersdelta valerolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl grouparomatic heteromonocyclic compounddelta valerolactone1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativelactonephenylsulfateorganic oxideoxanedelta_valerolactoneorganoheterocyclic compound1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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