Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:24:25 UTC |
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Update Date | 2025-03-21 18:38:28 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00120960 |
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Frequency | 21.5 |
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Structure | |
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Chemical Formula | C11H15NO8S |
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Molecular Mass | 321.0518 |
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SMILES | COc1cc(C(CC(N)C(=O)O)OS(=O)(=O)O)ccc1O |
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InChI Key | QXGWHMUGTAEDNL-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 | methoxyphenols |
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Direct Parent | methoxyphenols |
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Geometric Descriptor | aromatic homomonocyclic compounds |
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Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalkyl sulfatesalpha amino acidsanisolescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssulfuric acid monoesters |
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Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativeorganic oxidealkyl sulfateorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic sulfuric acid or derivativesmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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