| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:50 UTC |
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| Update Date | 2025-03-25 00:54:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205454 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H19N3O6S |
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| Molecular Mass | 393.0995 |
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| SMILES | NC(Cc1ccccc1)C(=O)NCC(=O)Nc1ccccc1OS(=O)(=O)O |
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| InChI Key | ROEWZEBKRGOGIK-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 | dipeptides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsamphetamines and derivativesanilidescarbonyl compoundscarboxylic acids and derivativesfatty amideshydrocarbon derivativesmonoalkylaminesn-acyl-alpha amino acidsn-arylamidesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylalanine and derivativesphenylsulfatessecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | fatty acylmonocyclic benzene moietysulfuric acid monoestercarbonyl groupfatty amiden-arylamidealpha-amino acid or derivativesphenylsulfateorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundarylsulfateamphetamine or derivativesn-acyl-alpha amino acid or derivativesorganic sulfuric acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupn-substituted-alpha-amino acidaromatic homomonocyclic compoundalpha-dipeptideanilidesecondary carboxylic acid amidephenylalanine or derivativesorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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