| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:31 UTC |
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| Update Date | 2025-03-25 01:01:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250579 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H14N2O5S |
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| Molecular Mass | 322.0623 |
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| SMILES | O=C1CC(=CC=NC(Cc2ccccc2)C(=O)O)S(=O)(=O)N1 |
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| InChI Key | CWWDLIZLWDHFTL-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 | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aldiminesalpha amino acidsamphetamines and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsgamma sultamshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfonic acids and derivativesphenylpropanoic acidspropargyl-type 1,3-dipolar organic compoundsthiazolidines |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidiminegamma-sultamthiazolidinedionepropargyl-type 1,3-dipolar organic compoundaldimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativesazacycleorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundthiazolidine |
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