| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:06 UTC |
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| Update Date | 2025-03-25 00:46:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153729 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12INO5S |
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| Molecular Mass | 384.9481 |
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| SMILES | CS(=O)(=O)Oc1ccc(CC(N)C(=O)O)cc1I |
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| InChI Key | FHTOQIMIPBATAI-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 homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamphetamines and derivativesaryl iodidescarbonyl compoundscarboxylic acidshydrocarbon derivativesiodobenzenesmethanesulfonatesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acid estersphenoxy compoundsphenylpropanoic acidssulfonic acid esterssulfonyls |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidorganosulfur compoundorganohalogen compoundiodobenzeneorganoiodidesulfonic acid esterorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesorganosulfonic acid esteraryl halidearomatic homomonocyclic compoundmethanesulfonatemonocarboxylic acid or derivativessulfonylphenylalanine or derivativesorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compoundorganooxygen compound |
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