| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:11 UTC |
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| Update Date | 2025-03-25 00:54:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208557 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H24N2O9S |
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| Molecular Mass | 420.1203 |
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| SMILES | CC(C)(CO)C(O)C(=O)NCCC(=O)NCc1ccc(OS(=O)(=O)O)c(O)c1 |
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| InChI Key | WAGGGJCRIQNXPH-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylsulfatessecondary alcoholssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | fatty acylmonocyclic benzene moietysulfuric acid monoestercarbonyl groupfatty amide1-hydroxy-2-unsubstituted benzenoidmonosaccharidephenylsulfatesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundarylsulfatealcoholorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidcarboxamide groupn-acyl-aminebeta amino acid or derivativesaromatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholsulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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