| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:48 UTC |
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| Update Date | 2025-03-21 18:30:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00080932 |
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| Frequency | 35.9 |
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| Structure | |
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| Chemical Formula | C9H9NO7S |
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| Molecular Mass | 275.01 |
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| SMILES | CC(=O)Nc1ccc(O)c(C(=O)OS(=O)(=O)O)c1 |
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| InChI Key | ZGBQNYNIBPTUFA-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 | benzoic acids and derivatives |
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| Direct Parent | acylaminobenzoic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetamidesacetanilidesbenzoyl derivativescarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundssalicylic acid and derivativessecondary carboxylic acid amidessulfuric acid monoestersvinylogous acids |
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| Substituents | sulfuric acid monoestercarbonyl groupn-acetylarylaminebenzoyl1-hydroxy-2-unsubstituted benzenoidn-arylamidecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundacetamideacylaminobenzoic acid or derivativesorganic sulfuric acid or derivativesacetanilidecarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesphenolhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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