| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:16 UTC |
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| Update Date | 2025-03-21 17:58:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00013777 |
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| Frequency | 322.8 |
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| Structure | |
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| Chemical Formula | C8H9NO5S |
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| Molecular Mass | 231.0201 |
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| SMILES | CC(=O)Nc1ccc(S(=O)(=O)O)cc1O |
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| InChI Key | ABFYTKKOURJOTM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | anilides |
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| Direct Parent | acetanilides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids1-sulfo,2-unsubstituted aromatic compoundsacetamidesarylsulfonic acids and derivativesbenzenesulfonic acids and derivativesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundsorganosulfonic acidssecondary carboxylic acid amidessulfonyls |
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| Substituents | organosulfonic acid or derivativescarbonyl groupn-acetylarylamineorganosulfonic acid1-hydroxy-2-unsubstituted benzenoidn-arylamidebenzenesulfonateorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidebenzenesulfonyl group1-sulfo,2-unsubstituted aromatic compoundacetanilide1-hydroxy-4-unsubstituted benzenoidcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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