| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:50 UTC |
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| Update Date | 2025-03-25 01:01:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249013 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10N2O6S |
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| Molecular Mass | 274.026 |
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| SMILES | COc1ccc2c(c1)NC(OS(=O)(=O)O)C(=O)N2 |
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| InChI Key | QLHYXIGCQJQNSM-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersalkyl sulfatesanisolesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganopnictogen compoundssecondary alkylarylaminessecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | phenol ethersulfuric acid monoestercarbonyl groupetherlactamalkyl aryl etherorganic oxidearomatic heteropolycyclic compoundalkyl sulfateorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundorganic sulfuric acid or derivativesazacyclesecondary aminecarboxamide groupsecondary aliphatic/aromatic aminesecondary carboxylic acid amideorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compoundamine |
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