| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:37 UTC |
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| Update Date | 2025-03-25 01:02:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253041 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H15NO7S |
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| Molecular Mass | 353.0569 |
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| SMILES | O=C(NCCc1ccc(OS(=O)(=O)O)c(O)c1)c1ccccc1O |
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| InChI Key | OWJHHULFXIFXJG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | phenylsulfates |
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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 compoundssalicylamidessecondary carboxylic acid amidessulfuric acid monoestersvinylogous acids |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativebenzamidephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidcarboxamide groupsalicylamidearomatic homomonocyclic compoundsecondary carboxylic acid amidevinylogous acidorganic oxygen compoundsalicylic acid or derivativessulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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