| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:43 UTC |
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| Update Date | 2025-03-21 18:39:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126356 |
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| Frequency | 20.3 |
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| Structure | |
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| Chemical Formula | C8H7ClN2O5S |
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| Molecular Mass | 277.9764 |
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| SMILES | NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C(O)O2 |
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| InChI Key | QFQIWWQTLDUTRH-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 | aminosulfonyl compoundsaryl chloridesazacyclic compoundsbenzenoidsbenzomorpholinescarbonyl compoundscarboxylic acids and derivativeshemiacetalshydrocarbon derivativeslactamsorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesoxacyclic compoundssecondary carboxylic acid amides |
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| Substituents | organosulfonic acid or derivativescarbonyl grouplactamorganochlorideorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundbenzomorpholineorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetalaryl chlorideazacycleaminosulfonyl compoundcarboxamide groupoxazinanearyl halideoxacyclesecondary carboxylic acid amidemorpholinesulfonylbenzoxazinoneorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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