| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:19 UTC |
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| Update Date | 2025-03-25 00:47:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163151 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9NO8S |
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| Molecular Mass | 279.0049 |
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| SMILES | O=C(O)C(O)Cn1cccc(OS(=O)(=O)O)c1=O |
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| InChI Key | ZDDVIQASMYIMLL-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 | alpha hydroxy acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyridinonessecondary alcoholssulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundarylsulfateorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundhydroxypyridinehydroxy acidmonocarboxylic acid or derivativespyridineorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterpyridinoneorganooxygen compound |
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