| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:50 UTC |
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| Update Date | 2025-03-21 18:37:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00117236 |
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| Frequency | 22.4 |
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| Structure | |
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| Chemical Formula | C9H6O6S |
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| Molecular Mass | 241.9885 |
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| SMILES | O=C(OS(=O)(=O)O)c1coc2ccccc12 |
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| InChI Key | PGICUPDQKHTTMD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzofurans |
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| Subclass | benzofurans |
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| Direct Parent | benzofurans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | benzenoidsfuran-3-carboxylic acid and derivativesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundssulfuric acid monoesters |
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| Substituents | furansulfuric acid monoesterfuroic acid or derivativesorganic sulfuric acid or derivativesbenzofuranheteroaromatic compoundcarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundhydrocarbon derivativebenzenoidsulfuric acid esterfuran-3-carboxylic acid or derivativesorganooxygen compound |
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