| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:44 UTC |
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| Update Date | 2025-03-21 18:31:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00087772 |
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| Frequency | 32.4 |
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| Structure | |
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| Chemical Formula | C9H9NO8S |
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| Molecular Mass | 291.0049 |
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| SMILES | O=C1C(O)C(OS(=O)(=O)O)Oc2ccccc2N1O |
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| InChI Key | GCENUXGXDKPLKU-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 compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeshydroxamic acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholssulfuric acid monoesters |
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| Substituents | alcoholsulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativesazacyclecarboxylic acid derivativepara-oxazepineoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundalkyl sulfateorganonitrogen compoundsecondary alcoholorganopnictogen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundhydroxamic acidsulfuric acid esterorganooxygen compound |
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