| 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 | DMID00126383 |
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| Frequency | 20.2 |
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| Structure | |
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| Chemical Formula | C9H9NO8S |
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| Molecular Mass | 291.0049 |
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| SMILES | O=C(CO)Nc1cc(C(=O)O)ccc1OS(=O)(=O)O |
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| InChI Key | JGPYFRZDADVJAF-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 | alcohols and polyolsanilidesbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylsulfatessecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidbenzoyln-arylamidecarboxylic acid derivativephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundarylsulfatebenzoic acidalcoholacylaminobenzoic acid or derivativesorganic sulfuric acid or derivativescarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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