| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:00 UTC |
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| Update Date | 2025-03-21 18:03:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043332 |
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| Frequency | 78.5 |
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| Structure | |
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| Chemical Formula | C9H9NO7S |
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| Molecular Mass | 275.01 |
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| SMILES | O=C1C(OS(=O)(=O)O)COc2ccccc2N1O |
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| InChI Key | GPHLAEVTLHQQJY-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 aryl ethersalkyl sulfatesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeshydroxamic acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupetherorganic sulfuric acid or derivativesazacyclealkyl aryl ethercarboxylic acid derivativepara-oxazepineoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundalkyl sulfateorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundhydroxamic acidsulfuric acid esterorganooxygen compound |
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