| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:52 UTC |
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| Update Date | 2025-03-25 00:56:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221861 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H8O9S |
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| Molecular Mass | 315.9889 |
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| SMILES | O=c1cc(OS(=O)(=O)O)oc(-c2ccc(O)c(O)c2)c1O |
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| InChI Key | ZEBNUDIBNQHFMV-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 | arylsulfates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescyclic ketonesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivativessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteraromatic heteromonocyclic compoundheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidcyclic ketone1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxideorganic oxygen compoundpyranpyranonesulfate-esterphenolhydrocarbon derivativearylsulfatebenzenoidsulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
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