| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:52 UTC |
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| Update Date | 2025-03-21 18:31:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00085793 |
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| Frequency | 33.3 |
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| Structure | |
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| Chemical Formula | C8H7NO6S |
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| Molecular Mass | 244.9994 |
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| SMILES | O=C1Nc2cc(S(=O)(=O)O)ccc2OC1O |
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| InChI Key | QOVZUTPGOAEWNB-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 | 1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesazacyclic compoundsbenzenoidsbenzomorpholinescarbonyl compoundscarboxylic acids and derivativeshemiacetalshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidsoxacyclic compoundssecondary carboxylic acid amidessulfonyls |
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| Substituents | organosulfonic acid or derivativescarbonyl grouplactamorganosulfonic acidorganosulfur compoundcarboxylic acid derivativebenzomorpholineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetal1-sulfo,2-unsubstituted aromatic compoundazacyclecarboxamide groupoxazinaneoxacyclesecondary carboxylic acid amidemorpholinesulfonylbenzoxazinoneorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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