| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:42 UTC |
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| Update Date | 2025-03-21 18:39:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126322 |
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| Frequency | 20.3 |
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| Structure | |
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| Chemical Formula | C9H7NO8S |
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| Molecular Mass | 288.9892 |
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| SMILES | O=C1C(=O)N(O)c2ccccc2OC1OS(=O)(=O)O |
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| InChI Key | OFSCXGXLPPMANE-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 | oxazepines |
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| Subclass | 1,4-oxazepines |
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| Direct Parent | 1,4-oxazepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl sulfatesazacyclic compoundsbenzenoidscarboxylic acids and derivativescyclic ketoneshydrocarbon derivativeshydroxamic acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativesazacyclecyclic ketonecarboxylic acid derivativepara-oxazepineketoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundalkyl sulfateorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundhydroxamic acidsulfuric acid esterorganooxygen compound |
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