| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:07 UTC |
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| Update Date | 2025-03-25 00:49:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171840 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H14N2O5S |
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| Molecular Mass | 274.0623 |
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| SMILES | CN(C)CC(=O)Nc1cccc(OS(=O)(=O)O)c1 |
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| InChI Key | ZFOVBIVEVBFIJA-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 acid amides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsanilidescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-arylamidesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylsulfatessecondary carboxylic acid amidessulfuric acid monoesterstrialkylamines |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupn-arylamidephenylsulfateorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundarylsulfatetertiary amineorganic sulfuric acid or derivativesalpha-amino acid amidetertiary aliphatic aminecarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esteramineorganooxygen compound |
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