| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:48 UTC |
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| Update Date | 2025-03-25 00:49:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175730 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15NO6S |
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| Molecular Mass | 289.062 |
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| SMILES | NC(CC(O)CC(=O)OS(=O)(=O)O)c1ccccc1 |
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| InChI Key | COWIYGITKQFJNI-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 | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | delta amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssulfuric acid monoesters |
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| Substituents | alcoholmonocyclic benzene moietysulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativeshydroxy acidaromatic homomonocyclic compoundbeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compounddelta amino acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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