| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:26 UTC |
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| Update Date | 2025-03-25 00:55:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02211569 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15NO7S |
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| Molecular Mass | 305.0569 |
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| SMILES | CC(=O)NCC(Cc1ccc(O)c(O)c1)OS(=O)(=O)O |
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| InChI Key | QEMJLRUQQSYBSY-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 | phenols |
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| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsacetamidesalkyl sulfatesbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxamide groupcarboxylic acid derivativearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxideorganic oxygen compoundalkyl sulfateorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esteracetamideorganooxygen compound |
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