| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:21 UTC |
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| Update Date | 2025-03-21 18:38:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123145 |
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| Frequency | 21.0 |
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| Structure | |
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| Chemical Formula | C19H25N3O5S |
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| Molecular Mass | 407.1515 |
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| SMILES | CC(C)CN(CC(O)C(=O)Nc1ccc(O)cc1)S(=O)(=O)c1ccc(N)cc1 |
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| InChI Key | POULRBHGTIUSEU-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 benzenoidsaminosulfonyl compoundsanilidesbenzenesulfonamidesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesn-arylamidesorganic oxidesorganopnictogen compoundsorganosulfonamidesprimary aminessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoidmonosacchariden-arylamideorganosulfur compoundorganosulfonic acid amidesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundbenzenesulfonyl groupalcoholbenzenesulfonamideaminosulfonyl compoundcarboxamide groupbeta amino acid or derivativesaromatic homomonocyclic compoundanilidesecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholphenolhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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