| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:35 UTC |
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| Update Date | 2025-03-25 00:45:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152470 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20N2O5S |
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| Molecular Mass | 364.1093 |
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| SMILES | NC(CCCc1ccc(Nc2ccccc2S(=O)(=O)O)cc1)C(=O)O |
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| InChI Key | JSLHTDZOXCHUPV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsalpha amino acidsamino acidsarylsulfonic acids and derivativesbenzenesulfonic acids and derivativesbenzenesulfonyl compoundscarbocyclic fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfonic acidssecondary aminessulfonyls |
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| Substituents | fatty acylcarbocyclic fatty acidorganosulfonic acid or derivativescarbonyl groupcarboxylic acidamino acid or derivativesamino acidorganosulfonic acidfatty acidalpha-amino acid or derivativesbenzenesulfonateorganosulfur compoundcarboxylic acid derivativeorganic oxidephenylbutylamineorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidbenzenesulfonyl group1-sulfo,2-unsubstituted aromatic compoundsecondary aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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