| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:35 UTC |
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| Update Date | 2025-03-25 00:51:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184341 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H21N3O7S |
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| Molecular Mass | 423.11 |
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| SMILES | NC(Cc1ccc(O)cc1)C(=O)NCCC(=O)Nc1ccc(OS(=O)(=O)O)cc1 |
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| InChI Key | MDFSXHTXIJUOJU-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 | peptidomimetics |
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| Subclass | hybrid peptides |
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| Direct Parent | hybrid peptides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acid amidesalpha amino acidsamphetamines and derivativesanilidesbeta amino acids and derivativescarbonyl compoundscarboxylic acids and derivativesfatty amideshydrocarbon derivativesmonoalkylaminesn-arylamidesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylalanine and derivativesphenylsulfatessecondary carboxylic acid amidessulfuric acid monoesterstyrosine and derivatives |
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| Substituents | fatty acylmonocyclic benzene moietysulfuric acid monoestercarbonyl groupfatty amide1-hydroxy-2-unsubstituted benzenoidn-arylamidealpha-amino acid or derivativescarboxylic acid derivativephenylsulfateorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundarylsulfateamphetamine or derivativesorganic sulfuric acid or derivativestyrosine or derivativesalpha-amino acid amidecarboxamide groupbeta amino acid or derivativesaromatic homomonocyclic compoundanilidesecondary carboxylic acid amidephenylalanine or derivativesorganic oxygen compoundhybrid peptidesulfate-esterphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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