| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:50 UTC |
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| Update Date | 2025-03-25 00:51:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189559 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H27N3O3S |
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| Molecular Mass | 389.1773 |
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| SMILES | CC(C)CN(CC(Cc1ccccc1)C(N)=O)S(=O)(=O)c1ccc(N)cc1 |
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| InChI Key | VOSVLSVMVPXMBZ-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 | aminosulfonyl compoundsbenzenesulfonamidesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acids and derivativesfatty amideshydrocarbon derivativesorganic oxidesorganopnictogen compoundsorganosulfonamidesprimary aminesprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylorganosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupfatty amideorganosulfur compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundbenzenesulfonyl groupbenzenesulfonamideaminosulfonyl compoundcarboxamide groupbeta amino acid or derivativesaromatic homomonocyclic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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