| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:51 UTC |
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| Update Date | 2025-03-21 18:03:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00045399 |
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| Frequency | 74.2 |
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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=C1C(OS(=O)O)Oc2ccccc2N1O |
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| InChI Key | MEPQNQRGEVBNOQ-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 derivativeshydrocarbon derivativeshydroxamic acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | carbonyl groupazacyclecarboxylic acid derivativebenzomorpholineoxazinaneoxacyclemorpholineorganic oxidebenzoxazinoneorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhydroxamic acidorganooxygen compound |
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