| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:14 UTC |
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| Update Date | 2025-03-25 00:51:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185863 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N2O5S |
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| Molecular Mass | 300.078 |
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| SMILES | O=C(CN1CCCC1)Nc1ccc(OS(=O)(=O)O)cc1 |
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| InChI Key | BOHZJVSYBASSHJ-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 heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsanilidesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-alkylpyrrolidinesn-arylamidesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylsulfatessecondary carboxylic acid amidessulfuric acid monoesterstrialkylamines |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl grouparomatic heteromonocyclic compoundn-arylamidephenylsulfateorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundarylsulfatepyrrolidinetertiary amineorganoheterocyclic compoundorganic sulfuric acid or derivativesalpha-amino acid amideazacyclen-alkylpyrrolidinetertiary aliphatic aminecarboxamide groupanilidesecondary carboxylic acid amideorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esteramineorganooxygen compound |
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