| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:47 UTC |
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| Update Date | 2025-03-25 00:46:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157515 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H8O8S |
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| Molecular Mass | 263.994 |
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| SMILES | O=C(O)CCc1cc(=O)c(OS(=O)(=O)O)co1 |
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| InChI Key | PFUGFIYWZUBTNF-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 | carbonyl compoundscarboxylic acidscyclic ketonesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundspyranones and derivativessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheteroaromatic compoundcyclic ketonecarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundpyranpyranonesulfate-esterhydrocarbon derivativearylsulfatesulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
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