| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:31 UTC |
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| Update Date | 2025-03-21 17:58:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00014340 |
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| Frequency | 307.8 |
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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 | COc1ccc2c(c1)OC(OS(=O)(=O)O)C(=O)N2 |
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| InChI Key | LIVXQZBSLFQWSH-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 | benzoxazines |
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| Subclass | benzoxazinones |
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| Direct Parent | benzoxazinones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersalkyl sulfatesanisolesazacyclic compoundsbenzomorpholinescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | phenol ethersulfuric acid monoestercarbonyl groupetherlactamalkyl aryl ethercarboxylic acid derivativebenzomorpholineorganic oxidearomatic heteropolycyclic compoundalkyl sulfateorganonitrogen compoundorganopnictogen compoundorganic sulfuric acid or derivativesazacyclecarboxamide groupoxazinaneoxacyclesecondary carboxylic acid amidemorpholinebenzoxazinoneorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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