| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:35 UTC |
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| Update Date | 2025-03-21 18:00:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030316 |
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| Frequency | 122.7 |
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| Structure | |
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| Chemical Formula | C13H11NO6S |
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| Molecular Mass | 309.0307 |
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| SMILES | O=C(Nc1ccc(OS(=O)(=O)O)cc1)c1ccccc1O |
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| InChI Key | ZGAVPTBCKJFNLC-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 | benzanilides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzamidesbenzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenoxy compoundsphenylsulfatessalicylamidessecondary carboxylic acid amidessulfuric acid monoestersvinylogous acids |
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| Substituents | sulfuric acid monoesterbenzanilidebenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativebenzamidephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundarylsulfateorganic sulfuric acid or derivativesbenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidcarboxamide groupsalicylamidearomatic homomonocyclic compoundsecondary carboxylic acid amidevinylogous acidorganic oxygen compoundsalicylic acid or derivativessulfate-esterphenolhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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