| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:12 UTC |
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| Update Date | 2025-03-25 00:50:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178956 |
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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 | COc1ccc(CC(NS(=O)(=O)O)C(=O)O)cc1OC |
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| InChI Key | RUAQHJFWQQJCIC-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 | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha amino acidsanisolescarbonyl compoundscarboxylic acidsdimethoxybenzeneshydrocarbon derivativesmethoxylated amphetaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylpropanoic acidssulfuric acid monoamides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidalkyl aryl etherdimethoxybenzeneorganic oxideo-dimethoxybenzeneorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesorganic sulfuric acid or derivativesmethoxylated amphetaminemethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundanisolesulfuric acid monoamidehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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