| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:35 UTC |
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| Update Date | 2025-03-21 18:01:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00032746 |
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| Frequency | 111.3 |
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| Structure | |
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| Chemical Formula | C8H6O6S |
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| Molecular Mass | 229.9885 |
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| SMILES | O=C1c2ccccc2OC1OS(=O)(=O)O |
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| InChI Key | RXWKXLCVJXLJFR-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 | benzofuranones |
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| Direct Parent | benzofuranones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl sulfatesaryl alkyl ketonesbenzenoidscoumaranshydrocarbon derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundssulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterorganic sulfuric acid or derivativesaryl alkyl ketonebenzofuranoneketoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundalkyl sulfatesulfate-esterhydrocarbon derivativebenzenoidsulfuric acid estercoumaranorganooxygen compoundaryl ketone |
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