| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:59 UTC |
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| Update Date | 2025-03-21 18:00:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00028968 |
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| Frequency | 129.4 |
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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(OS(=O)(=O)O)c(C(=O)O)c1 |
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| InChI Key | XRMHCRGRHRSKPU-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-carboxy-2-haloaromatic compoundsacetamidesacetanilidesbenzoic acidsbenzoyl derivativescarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylsulfatessecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidn-acetylarylaminebenzoyln-arylamidecarboxylic acid derivativephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundarylsulfate1-carboxy-2-haloaromatic compoundbenzoic acidacetamideacylaminobenzoic acid or derivativesorganic sulfuric acid or derivativesacetanilidecarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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