| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:02 UTC |
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| Update Date | 2025-03-25 00:57:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224523 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H13NO7S |
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| Molecular Mass | 339.0413 |
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| SMILES | O=C(NCc1ccc(OS(=O)(=O)O)c(O)c1)c1ccccc1O |
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| InChI Key | QLZUWKMFDFEMCO-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 | n-benzylbenzamides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenoxy compoundsphenylsulfatessalicylamidessecondary carboxylic acid amidessulfuric acid monoestersvinylogous acids |
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| Substituents | sulfuric acid monoesterbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativephenylsulfateorganic oxiden-benzylbenzamideorganonitrogen compoundorganopnictogen compoundarylsulfateorganic sulfuric 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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