| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:20 UTC |
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| Update Date | 2025-03-21 18:29:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00079815 |
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| Frequency | 36.5 |
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| Structure | |
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| Chemical Formula | C8H7NO5S |
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| Molecular Mass | 229.0045 |
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| SMILES | O=C1Nc2ccc(S(=O)O)cc2OC1O |
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| InChI Key | OSCLBRNWFFRWKY-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 | azacyclic compoundsbenzenoidsbenzomorpholinescarbonyl compoundscarboxylic acids and derivativeshemiacetalshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundsoxacyclic compoundssecondary carboxylic acid amidessulfinic acids |
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| Substituents | carbonyl grouplactamsulfinic acid derivativeorganosulfur compoundcarboxylic acid derivativebenzomorpholinesulfinic acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetalazacyclecarboxamide groupoxazinaneoxacyclesecondary carboxylic acid amidemorpholinebenzoxazinoneorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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